Scoparone

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Systematic / IUPAC Name: 6,7-Dimethoxy-2H-chromen-2-one

ID: Reference7538

Other Names: Escoparone;
Scoparon;
o,o-Dimethylesculetin;
o-Methylisoscopoletin;
o-Methylscopoletin ; more

Formula: C11H10O4

Spectral Data

Scoparone 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 Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 2
No. of Spectra 1083
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/14/2018 9:33:01 AM
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Identificators

InChI InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3
InChI Key GUAFOGOEJLSQBT-UHFFFAOYSA-N
Canonical SMILES COC1=C(C=C2C(=C1)C=CC(=O)O2)OC
CAS 120081
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Other Names Escoparone;
Scoparon;
o,o-Dimethylesculetin;
o-Methylisoscopoletin;
o-Methylscopoletin;
2H-1-Benzopyran-2-one, 6,7-dimethoxy-;
6,7-Dimethoxy-2H-1-benzopyran-2-one;
6,7-Dimethoxy-2-benzopyrone;
6,7-Dimethoxybenzopyran-2-one;
6,7-Dimethoxychromen-2-one;
6,7-Dimethoxycoumarin;
6,7-Dimethoxycoumarine;
6,7-Dimethylesculetin;
Aesculetin dimethyl ether;
Benzopyran-2-one, 6,7-dimethoxy-;
Coumarin, 6,7-dimethoxy-;
Dimethyl esculetin;
Dimethylaesculetin;
Esculetin 6,7-dimethyl ether;
Esculetin dimethyl ether;
Scopoletin methyl ether

In Other Databases

ChemSpider 8110
ChEMBL CHEMBL325864
HMDb HMDB30818
ChemIDPlus 000120081
PubChem 8417
ChEBI CHEBI:9055
KEGG C09311
Wikipedia Scoparone