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2-Butenoic acid, 4-phenyl-, butyl ester
SpectraBase Compound ID B5AJ9VpoZWz
InChI InChI=1S/C14H18O2/c1-2-3-12-16-14(15)11-7-10-13-8-5-4-6-9-13/h4-9,11H,2-3,10,12H2,1H3/b11-7+
InChIKey QZYXDODATJBUFZ-YRNVUSSQSA-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 8hVpwu6iprv
Name 2-Butenoic acid, 4-phenyl-, butyl ester
CAS Registry Number 54966-43-7
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/h4-9,11H,2-3,10,12H2,1H3/b11-7+
InChIKey QZYXDODATJBUFZ-YRNVUSSQSA-N
Molecular Weight 218.296 g/mol
SMILES CCCCOC(=O)\C=C\Cc1ccccc1
SPLASH splash10-014l-6900000000-2146c43f74cdcfc37888
Source of Spectrum SD-1981-0-0
Synonyms Butyl (2E)-4-phenyl-2-butenoate (E)-4-phenyl-2-butenoic acid butyl ester (E)-4-phenylbut-2-enoic acid butyl ester Butyl (E)-4-phenylbut-2-enoate
Wiley ID 1217878