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2-BUTENOIC ACID, 2-METHYL-3-PHENYL (alpha,beta-CINNAMIC ACID)
SpectraBase Compound ID JWJ66l9ID58
InChI InChI=1S/C11H12O2/c1-8(9(2)11(12)13)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,12,13)/b9-8+
InChIKey QXMYQAUGBLHFFT-CMDGGOBGSA-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 6fJnwmGBURN
Name (2E)-2-Methyl-3-phenyl-2-butenoic acid
CAS Registry Number 4540-79-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O2
InChI InChI=1S/C11H12O2/c1-8(9(2)11(12)13)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,12,13)/b9-8+
InChIKey QXMYQAUGBLHFFT-CMDGGOBGSA-N
Molecular Weight 176.215 g/mol
SMILES OC(\C(=C\(c1ccccc1)C)C)=O
SPLASH splash10-004i-6900000000-a82b96e7efa72156926b
Source of Spectrum HE-1986-219-0
Synonyms (E)-2-methyl-3-phenyl-2-butenoic acid (E)-2-methyl-3-phenyl-but-2-enoic acid 2-Butenoic acid, 2-methyl-3-phenyl 2-Methyl-3-phenyl-2-butenoic acid Cinnamic acid, .alpha.,.beta.-dimethyl-
Wiley ID 1172334