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4-(3-Phenylpropyl)benzoic acid, ethyl ester

View entire compound with spectra: 2 MS (GC)

4-(3-Phenylpropyl)benzoic acid, ethyl ester
SpectraBase Compound ID 8wUmbcmjMBZ
InChI InChI=1S/C18H20O2/c1-2-20-18(19)17-13-11-16(12-14-17)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11-14H,2,6,9-10H2,1H3
InChIKey LYAKCWANBKUMBM-UHFFFAOYSA-N
Mol Weight 268.36 g/mol
Molecular Formula C18H20O2
Exact Mass 268.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EtbNes0w32D
Name 4-(3-Phenylpropyl)benzoic acid, ethyl ester
Alternate Name(s) Ethyl 4-(3-phenylpropyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O2
InChI InChI=1S/C18H20O2/c1-2-20-18(19)17-13-11-16(12-14-17)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11-14H,2,6,9-10H2,1H3
InChIKey LYAKCWANBKUMBM-UHFFFAOYSA-N
Molecular Weight 268.356 g/mol
SMILES C(=O)(c1ccc(CCCc2ccccc2)cc1)OCC
SPLASH splash10-002f-9300000000-27f3eb546a9893cea6aa
Wiley ID 1476939