Benzoic acid, 2-[(4-oxo-4H-1-benzopyran-2-yl)methyl]-

SpectraBase Compound ID	CIF0hHhJGCD
InChI	InChI=1S/C17H12O4/c18-15-10-12(21-16-8-4-3-7-14(15)16)9-11-5-1-2-6-13(11)17(19)20/h1-8,10H,9H2,(H,19,20)
InChIKey	XTIXXTOYGHWMFU-UHFFFAOYSA-N Google Search
Mol Weight	280.28 g/mol
Molecular Formula	C17H12O4
Exact Mass	280.073559 g/mol

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SpectraBase Spectrum ID	LDeEJagrReh
Name	Benzoic acid, 2-[(4-oxo-4H-1-benzopyran-2-yl)methyl]-
CAS Registry Number	83384-45-6
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H12O4
InChI	InChI=1S/C17H12O4/c18-15-10-12(21-16-8-4-3-7-14(15)16)9-11-5-1-2-6-13(11)17(19)20/h1-8,10H,9H2,(H,19,20)
InChIKey	XTIXXTOYGHWMFU-UHFFFAOYSA-N
Molecular Weight	280.279 g/mol
SMILES	OC(c1c(CC2=CC(=O)c3c(O2)cccc3)cccc1)=O
SPLASH	splash10-001i-0090000000-cc982b0b11ec13392d52
Source of Spectrum	KC-1983-2819-0
Synonyms	2-[(4-oxo-1-benzopyran-2-yl)methyl]benzoic acid 2-[(4-oxochromen-2-yl)methyl]benzoic acid 2-[(4-oxidanylidenechromen-2-yl)methyl]benzoic acid
Wiley ID	1284065