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3-Benzylbut-3-enoic acid

View entire compound with spectra: 1 MS (GC)

3-Benzylbut-3-enoic acid
SpectraBase Compound ID 3BKFgGErCW9
InChI InChI=1S/C11H12O2/c1-9(8-11(12)13)7-10-5-3-2-4-6-10/h2-6H,1,7-8H2,(H,12,13)
InChIKey IQOXVUUPMSOCHO-UHFFFAOYSA-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 m1ceiTLWK
Name 3-Benzylbut-3-enoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O2
InChI InChI=1S/C11H12O2/c1-9(8-11(12)13)7-10-5-3-2-4-6-10/h2-6H,1,7-8H2,(H,12,13)
InChIKey IQOXVUUPMSOCHO-UHFFFAOYSA-N
Molecular Weight 176.215 g/mol
SMILES OC(CC(=C)Cc1ccccc1)=O
SPLASH splash10-016u-6900000000-5a4cf3f0b7acb71ba0d2
Source of Spectrum D1-1994-525-2
Synonyms 3-(Phenylmethyl)-3-butenoic acid 3-(Phenylmethyl)but-3-enoic acid
Wiley ID 834571