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3-Pentenoic acid, 4-phenyl-

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

3-Pentenoic acid, 4-phenyl-
SpectraBase Compound ID 2IatD3vw3wR
InChI InChI=1S/C11H12O2/c1-9(7-8-11(12)13)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,12,13)/b9-7+
InChIKey JATBAXFNRKCZTR-VQHVLOKHSA-N
Mol Weight 176.21 g/mol
Molecular Formula C11H12O2
Exact Mass 176.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JbzHxJ1YKt6
Name 3-Pentenoic acid, 4-phenyl-
CAS Registry Number 53774-19-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O2
InChI InChI=1S/C11H12O2/c1-9(7-8-11(12)13)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,12,13)/b9-7+
InChIKey JATBAXFNRKCZTR-VQHVLOKHSA-N
Molecular Weight 176.215 g/mol
SMILES OC(C\C=C/(C)c1ccccc1)=O
SPLASH splash10-003r-4900000000-efcfdf654b1ca065cad3
Source of Spectrum W5-0-0-0
Synonyms (3E)-4-Phenyl-3-pentenoic acid (E)-4-phenyl-3-pentenoic acid (E)-4-phenylpent-3-enoic acid 4-Phenyl-3-pentenoic acid 4-Phenylpent-3-enoic acid
Wiley ID 1172333