5,6,7-Trimethoxy-2H-chromen-2-one

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Systematic / IUPAC Name: 5,6,7-Trimethoxychromen-2-one

ID: Reference7946

Other Names: 2H-1-Benzopyran-2-one, 5,6,7-trimethoxy-;
5,6,7-Trimethoxy-2H-1-benzopyran-2-one;
Fraxinol methyl ether

Formula: C12H12O5

Spectral Data

5,6,7-Trimethoxy-2H-chromen-2-one 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 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 5/14/2018 1:00:03 PM
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Identificators

InChI InChI=1S/C12H12O5/c1-14-9-6-8-7(4-5-10(13)17-8)11(15-2)12(9)16-3/h4-6H,1-3H3
InChI Key FOBNRKTURPWTQX-UHFFFAOYSA-N
Canonical SMILES COC1=C(C(=C2C=CC(=O)OC2=C1)OC)OC
CAS
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Other Names 2H-1-Benzopyran-2-one, 5,6,7-trimethoxy-;
5,6,7-Trimethoxy-2H-1-benzopyran-2-one;
Fraxinol methyl ether

In Other Databases

KEGG C09313
PubChem 148724
ChemIDPlus 055085477; 55085477
ChemSpider 131099
ChEBI CHEBI:28126
ChEMBL CHEMBL607537