Online Demo Results
-
Nucleus 1H Frequency 400 MHz Solvent CDCl3 Shifts 1.81 ( s 3H ), 3.12 ( m 2H ), 3.23 ( m 2H ), 5.55 ( m 1H ), 7.22 ( m 1H ), 7.56-7.63 ( m 2H ), 12.11 ( s 1H ) Nucleus 13C Frequency 100 MHz Solvent CDCl3 Shifts 22.92, 25.08, 29.18, 130.10, 132.06, 141.69, 142.90, 183.87, 189.81 Value 146.2-148.8 °C
These chemical names were found in the document but were not found to have any associated spectra or properties. There is a higher chance of false positives amongst these names.
| publisher | ChemSpider SyntheticPages |
|---|---|
| doi | 10.1039/sp801 |
| language | en |
| title | Alkaline Air Oxidation of 5-hydroxy-2-methyl-1,4,4a,9a-tetrahydroanthracene-9,10-dione |
| published_date | 2015-10-28T00:00:00 |
| filename | 8f57a682-b7df-4f13-b0cd-ed5902e33c1e.html |
| authors | Jevica Salim, Steven M. Kennedy |
[
{
"abbreviations": [],
"biblio": {
"authors": [
"Jevica Salim",
"Steven M. Kennedy"
],
"doi": "10.1039/sp801",
"filename": "8f57a682-b7df-4f13-b0cd-ed5902e33c1e.html",
"language": "en",
"published_date": "2015-10-28T00:00:00",
"publisher": "ChemSpider SyntheticPages",
"title": "Alkaline Air Oxidation of 5-hydroxy-2-methyl-1,4,4a,9a-tetrahydroanthracene-9,10-dione"
},
"records": [
{
"names": [
"Sodium Hydroxide",
"sodium hydroxide"
],
"smiles": "[OH-].[Na+]"
},
{
"names": [
"Hydrochloric Acid",
"hydrochloric acid"
],
"smiles": "Cl"
},
{
"names": [
"Dihydroanthraquinone"
],
"smiles": "C1CC=CC=2C(C3=CC=CC=C3C(C12)=O)=O"
},
{
"names": [
"5-hydroxy-2-methyl-4,4a,9,9a-tetrahydroanthracene-9,10-dione"
],
"smiles": "OC1=C2C(C3CC=C(CC3C(C2=CC=C1)=O)C)=O"
},
{
"names": [
"ethanol"
],
"smiles": "C(C)O"
},
{
"names": [
"1H"
]
},
{
"names": [
"H"
],
"smiles": "[H]"
},
{
"names": [
"13C"
],
"smiles": "[13CH4]"
},
{
"names": [
"alkenes"
]
},
{
"names": [
"arenes"
]
},
{
"names": [
"5-hydroxy-2-methyl-1,4,4a,9a-tetrahydroanthracene-9,10-dione"
],
"smiles": "OC1=C2C(C3CC=C(CC3C(C2=CC=C1)=O)C)=O"
},
{
"names": [
"CDCl3"
]
},
{
"melting_points": [
{
"units": "°C",
"value": "146.2-148.8"
}
],
"names": [
"5-hydroxy-2-methyl-1,4-dihydroanthracene-9,10-dione"
],
"nmr_spectra": [
{
"frequency": "400",
"frequency_units": "MHz",
"nucleus": "1H",
"peaks": [
{
"multiplicity": "s",
"number": "3H",
"shift": "1.81"
},
{
"multiplicity": "m",
"number": "2H",
"shift": "3.12"
},
{
"multiplicity": "m",
"number": "2H",
"shift": "3.23"
},
{
"multiplicity": "m",
"number": "1H",
"shift": "5.55"
},
{
"multiplicity": "m",
"number": "1H",
"shift": "7.22"
},
{
"multiplicity": "m",
"number": "2H",
"shift": "7.56-7.63"
},
{
"multiplicity": "s",
"number": "1H",
"shift": "12.11"
}
],
"solvent": "CDCl3"
},
{
"frequency": "100",
"frequency_units": "MHz",
"nucleus": "13C",
"peaks": [
{
"shift": "22.92"
},
{
"shift": "25.08"
},
{
"shift": "29.18"
},
{
"shift": "130.10"
},
{
"shift": "132.06"
},
{
"shift": "141.69"
},
{
"shift": "142.90"
},
{
"shift": "183.87"
},
{
"shift": "189.81"
}
],
"solvent": "CDCl3"
}
],
"roles": [
"product"
],
"smiles": "OC1=C2C(C=3CC=C(CC3C(C2=CC=C1)=O)C)=O"
}
]
}
]