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2-[2-carboxy-3-(3-methylphenyl)propyl]-3-methylbenzoic acid
SpectraBase Compound ID DdhYzPqO2Bg
InChI InChI=1S/C19H20O4/c1-12-5-3-7-14(9-12)10-15(18(20)21)11-17-13(2)6-4-8-16(17)19(22)23/h3-9,15H,10-11H2,1-2H3,(H,20,21)(H,22,23)
InChIKey ICZRJOLIWLCKTE-UHFFFAOYSA-N
Mol Weight 312.36 g/mol
Molecular Formula C19H20O4
Exact Mass 312.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DULi42uRVJl
Name 2-[2-carboxy-3-(3-methylphenyl)propyl]-3-methylbenzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20O4
InChI InChI=1S/C19H20O4/c1-12-5-3-7-14(9-12)10-15(18(20)21)11-17-13(2)6-4-8-16(17)19(22)23/h3-9,15H,10-11H2,1-2H3,(H,20,21)(H,22,23)
InChIKey ICZRJOLIWLCKTE-UHFFFAOYSA-N
Molecular Weight 312.365 g/mol
SMILES OC(c1c(CC(C(=O)O)Cc2cc(C)ccc2)c(ccc1)C)=O
SPLASH splash10-0002-0910000000-261dc9a592bd1a8c00ad
Source of Spectrum AH-127-426-5
Synonyms 2-[3-hydroxy-2-(m-tolylmethyl)-3-oxo-propyl]-3-methyl-benzoic acid 2-[3-hydroxy-2-[(3-methylphenyl)methyl]-3-oxopropyl]-3-methylbenzoic acid 3-Methyl-2-[2-[(3-methylphenyl)methyl]-3-oxidanyl-3-oxidanylidene-propyl]benzoic acid
Wiley ID 1313527