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(E)-3-hydroxy-5-phenyl-4-pentenoic acid ethyl ester
SpectraBase Compound ID 9SvsXsLP285
InChI InChI=1S/C13H16O3/c1-2-16-13(15)10-12(14)9-8-11-6-4-3-5-7-11/h3-9,12,14H,2,10H2,1H3/b9-8+
InChIKey GKJRUOHBIQZQNO-CMDGGOBGSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GNASoNeBFQ
Name (E)-3-hydroxy-5-phenyl-4-pentenoic acid ethyl ester
CAS Registry Number 95728-97-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-2-16-13(15)10-12(14)9-8-11-6-4-3-5-7-11/h3-9,12,14H,2,10H2,1H3/b9-8+
InChIKey GKJRUOHBIQZQNO-CMDGGOBGSA-N
Literature Reference DOI 10.1002/adsc.200700572
Molecular Weight 220.268 g/mol
SMILES OC(CC(=O)OCC)\C=C\c1ccccc1
SPLASH splash10-0fb9-2910000000-29d0af57b2211ccbcb34
Source of Spectrum ASC-350-975/SM13-13_1
Synonyms Ethyl 3-hydroxy-5-phenyl-pent-4-enoate (E)-3-hydroxy-5-phenyl-pent-4-enoic acid ethyl ester Ethyl (E)-3-hydroxy-5-phenyl-pent-4-enoate Ethyl (E)-3-oxidanyl-5-phenyl-pent-4-enoate (E)-ethyl 3-hydroxy-5-phenylpent-4-enoate Ethyl (E)-3-hydroxy-5-phenylpent-4-enoate
Wiley ID 1766171