Coumarin

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Systematic / IUPAC Name: 2H-Chromen-2-one

ID: Reference356

Other Names: o-Hydroxycinnamic acid lactone;
o-Hydroxycinnamic lactone;
o-Hydroxycinnamic acid δ-lactone;
Cinnamic acid, o-hydroxy, δ-lactone;
2-Propenoic acid, 3-(2-hydroxyphenyl), δ-lactone ; more

Formula: C9H6O2

Class: Endogenous Metabolites

Spectral Data

Coumarin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite; Q Exactive Orbitrap
No. of Spectral Trees 3
No. of Spectra 337
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI; APCI
Analyzers FT
Last Modification 10/11/2016 9:48:37 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
InChI Key ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
Canonical SMILES C1=CC=C2C(=C1)C=CC(=O)O2
CAS 91645
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Other Names o-Hydroxycinnamic acid lactone;
o-Hydroxycinnamic lactone;
o-Hydroxycinnamic acid δ-lactone;
Cinnamic acid, o-hydroxy, δ-lactone;
2-Propenoic acid, 3-(2-hydroxyphenyl), δ-lactone;
3-(2-Hydroxyphenyl)-2-propenoic δ-lactone;
2-Propenoic acid, 3-(2-hydroxyphenyl)-δ-lactone;
2H-1-Benzopyran-2-one;
Cumarin;
1,2-Benzopyrone;
Rattex;
Coumarine;
Chromen-2-one;
Benzo-α-pyrone;
cis-o-Coumarinic acid lactone;
2-Oxo-1,2-benzopyran;
5,6-Benzo-2-pyrone;
5,6-Benzo-α-pyrone;
2H-Benzo[b]pyran-2-one;
2H-1-Benzopyran, 2-oxo-;
o-Coumaric acid lactone;
2H-Benzo(b)pyran-2-one;
Benzopyran-2-one;
cis-o-Coumaric acid anhydride;
2H-Benzopyran-2-one;
2-Oxo-2H-1-benzopyran;
Benzo-2-pyrone;
cis-o-Coumaric acid lactone

In Other Databases

ChemSpider 13848793
HMDb HMDB01218
ChEBI CHEBI:28794
ChEMBL CHEMBL6466
KEGG C05851; D07751
Wikipedia Coumarin
PubChem 323