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(E,3S)-2-methyl-3-phenyl-4-hexenoic acid
SpectraBase Compound ID Iz9AsSICnOK
InChI InChI=1S/C13H16O2/c1-3-7-12(10(2)13(14)15)11-8-5-4-6-9-11/h3-10,12H,1-2H3,(H,14,15)/b7-3+/t10?,12-/m0/s1
InChIKey HHOSJCJFTSGIKG-RHXWMJLDSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DlYP1Nn3ab
Name (E,3S)-2-methyl-3-phenyl-4-hexenoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-3-7-12(10(2)13(14)15)11-8-5-4-6-9-11/h3-10,12H,1-2H3,(H,14,15)/b7-3+/t10?,12-/m0/s1
InChIKey HHOSJCJFTSGIKG-RHXWMJLDSA-N
Molecular Weight 204.269 g/mol
SMILES OC(C([C@](\C=C\C)(c1ccccc1)[H])C)=O
SPLASH splash10-001i-1900000000-4f88d2ed26c9b6e4fd09
Source of Spectrum KD-14-2404-4
Synonyms (E,3S)-2-methyl-3-phenyl-hex-4-enoic acid
Wiley ID 1636240