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1-[2'-(3''-Methoxy-5''-methylphenyl)ethyl]-1,4-dihydrobenzoic acid
SpectraBase Compound ID 9HD9KsR7qqv
InChI InChI=1S/C17H20O3/c1-13-10-14(12-15(11-13)20-2)6-9-17(16(18)19)7-4-3-5-8-17/h4-5,7-8,10-12H,3,6,9H2,1-2H3,(H,18,19)
InChIKey IKPCDZYVPJGQLF-UHFFFAOYSA-N
Mol Weight 272.34 g/mol
Molecular Formula C17H20O3
Exact Mass 272.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3LdDSYBgki
Name 1-[2'-(3''-Methoxy-5''-methylphenyl)ethyl]-1,4-dihydrobenzoic acid
Alternate Name(s) 1-[2-(3-methoxy-5-methylphenyl)ethyl]-2,5-cyclohexadiene-1-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O3
InChI InChI=1S/C17H20O3/c1-13-10-14(12-15(11-13)20-2)6-9-17(16(18)19)7-4-3-5-8-17/h4-5,7-8,10-12H,3,6,9H2,1-2H3,(H,18,19)
InChIKey IKPCDZYVPJGQLF-UHFFFAOYSA-N
Molecular Weight 272.344 g/mol
SMILES OC(C1(C=CCC=C1)CCc1cc(OC)cc(c1)C)=O
SPLASH splash10-0zi4-3900000000-3923f1777f82ed5f40f1
Source of Spectrum B-52-1100-10
Wiley ID 746861