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3-(6-Methyl-4-oxo-4H-pyran-2-yl)benzoic acid
SpectraBase Compound ID Jd4Vvc4cdKv
InChI InChI=1S/C13H10O4/c1-8-5-11(14)7-12(17-8)9-3-2-4-10(6-9)13(15)16/h2-7H,1H3,(H,15,16)
InChIKey YJDLITKXSWLYIM-UHFFFAOYSA-N
Mol Weight 230.22 g/mol
Molecular Formula C13H10O4
Exact Mass 230.057909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID PFwe5DqZkj
Name 3-(6-Methyl-4-oxo-4H-pyran-2-yl)benzoic acid
CAS Registry Number 295364-59-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10O4
InChI InChI=1S/C13H10O4/c1-8-5-11(14)7-12(17-8)9-3-2-4-10(6-9)13(15)16/h2-7H,1H3,(H,15,16)
InChIKey YJDLITKXSWLYIM-UHFFFAOYSA-N
Molecular Weight 230.219 g/mol
SMILES OC(c1cc(C2=CC(=O)C=C(O2)C)ccc1)=O
SPLASH splash10-0udi-3390000000-3c30d10781585274b32b
Source of Spectrum AD-0-2532-0
Synonyms 3-(4-keto-6-methyl-pyran-2-yl)benzoic acid 3-(6-Methyl-4-oxidanylidene-pyran-2-yl)benzoic acid 3-(6-Methyl-4-oxo-2-pyranyl)benzoic acid 3-(6-Methyl-4-oxo-pyran-2-yl)benzoic acid Benzoic acid, 3-(6-methyl-4-oxo-4H-pyran-2-yl)-
Wiley ID 1419771