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2,5-Cyclohexadiene-1-carboxylic acid, 1-(3-phenylpropyl)-
SpectraBase Compound ID 1FrGHjWmOXS
InChI InChI=1S/C16H18O2/c17-15(18)16(11-5-2-6-12-16)13-7-10-14-8-3-1-4-9-14/h1,3-6,8-9,11-12H,2,7,10,13H2,(H,17,18)
InChIKey QHMZRZPOUGDTPG-UHFFFAOYSA-N
Mol Weight 242.32 g/mol
Molecular Formula C16H18O2
Exact Mass 242.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DKkwLVnKEzd
Name 2,5-Cyclohexadiene-1-carboxylic acid, 1-(3-phenylpropyl)-
CAS Registry Number 72023-96-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O2
InChI InChI=1S/C16H18O2/c17-15(18)16(11-5-2-6-12-16)13-7-10-14-8-3-1-4-9-14/h1,3-6,8-9,11-12H,2,7,10,13H2,(H,17,18)
InChIKey QHMZRZPOUGDTPG-UHFFFAOYSA-N
Molecular Weight 242.318 g/mol
SMILES OC(C1(C=CCC=C1)CCCc1ccccc1)=O
SPLASH splash10-0006-9200000000-5119472be49cf3236aec
Source of Spectrum C-101-7155-5
Synonyms 1-(3-phenylpropyl)-2,5-cyclohexadiene-1-carboxylic acid 3-(3'-Phenylpropyl)-1,4-dihydrobenzoic acid
Wiley ID 1245511