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3-Butenoic acid, 4-phenyl-, butyl ester
SpectraBase Compound ID 80ytloEohtI
InChI InChI=1S/C14H18O2/c1-2-3-12-16-14(15)11-7-10-13-8-5-4-6-9-13/h4-10H,2-3,11-12H2,1H3/b10-7+
InChIKey IMKYZJRUXPHTGE-JXMROGBWSA-N
Mol Weight 218.3 g/mol
Molecular Formula C14H18O2
Exact Mass 218.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8lBT0QCGAhG
Name 3-Butenoic acid, 4-phenyl-, butyl ester
CAS Registry Number 54966-44-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O2
InChI InChI=1S/C14H18O2/c1-2-3-12-16-14(15)11-7-10-13-8-5-4-6-9-13/h4-10H,2-3,11-12H2,1H3/b10-7+
InChIKey IMKYZJRUXPHTGE-JXMROGBWSA-N
Molecular Weight 218.296 g/mol
SMILES CCCCOC(=O)C\C=C\c1ccccc1
SPLASH splash10-014i-6900000000-4a9f8b72ad48a8634ce7
Source of Spectrum SD-1981-0-0
Synonyms Butyl (3E)-4-phenyl-3-butenoate (E)-4-phenyl-3-butenoic acid butyl ester (E)-4-phenylbut-3-enoic acid butyl ester Butyl (E)-4-phenylbut-3-enoate
Wiley ID 1217879