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Benzoic acid, 2-(4-methyl-2-oxo-2H-1-benzopyran-3-yl)-
SpectraBase Compound ID 2SOYGi7YzgG
InChI InChI=1S/C17H12O4/c1-10-11-6-4-5-9-14(11)21-17(20)15(10)12-7-2-3-8-13(12)16(18)19/h2-9H,1H3,(H,18,19)
InChIKey VHUIVMWFYGHCDA-UHFFFAOYSA-N
Mol Weight 280.28 g/mol
Molecular Formula C17H12O4
Exact Mass 280.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dt4TmMKEmKZ
Name Benzoic acid, 2-(4-methyl-2-oxo-2H-1-benzopyran-3-yl)-
CAS Registry Number 89141-06-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12O4
InChI InChI=1S/C17H12O4/c1-10-11-6-4-5-9-14(11)21-17(20)15(10)12-7-2-3-8-13(12)16(18)19/h2-9H,1H3,(H,18,19)
InChIKey VHUIVMWFYGHCDA-UHFFFAOYSA-N
Molecular Weight 280.279 g/mol
SMILES OC(c1c(C=2C(Oc3c(C2C)cccc3)=O)cccc1)=O
SPLASH splash10-01qi-0090000000-23a43dd865dee8a2aa1c
Source of Spectrum KC-1983-2819-0
Synonyms 2-(4-Methyl-2-oxo-1-benzopyran-3-yl)benzoic acid 2-(4-Methyl-2-oxochromen-3-yl)benzoic acid 2-(4-Methyl-2-oxo-chromen-3-yl)benzoic acid 2-(4-Methyl-2-oxidanylidene-chromen-3-yl)benzoic acid
Wiley ID 1284064