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2-Pentenoic acid, 2-(benzoylamino)-5,5,5-trifluoro-4-methyl-, (Z)-(.+-.)-

View entire compound with spectra: 1 MS (GC)

2-Pentenoic acid, 2-(benzoylamino)-5,5,5-trifluoro-4-methyl-, (Z)-(.+-.)-
SpectraBase Compound ID 6JZxHPeSyeF
InChI InChI=1S/C13H12F3NO3/c1-8(13(14,15)16)7-10(12(19)20)17-11(18)9-5-3-2-4-6-9/h2-8H,1H3,(H,17,18)(H,19,20)/b10-7-
InChIKey ZJOZRJZFDDCQJQ-YFHOEESVSA-N
Mol Weight 287.24 g/mol
Molecular Formula C13H12F3NO3
Exact Mass 287.076928 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EdWGOjI3JVz
Name 2-Pentenoic acid, 2-(benzoylamino)-5,5,5-trifluoro-4-methyl-, (Z)-(.+-.)-
CAS Registry Number 122489-83-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12F3NO3
InChI InChI=1S/C13H12F3NO3/c1-8(13(14,15)16)7-10(12(19)20)17-11(18)9-5-3-2-4-6-9/h2-8H,1H3,(H,17,18)(H,19,20)/b10-7-
InChIKey ZJOZRJZFDDCQJQ-YFHOEESVSA-N
Molecular Weight 287.238 g/mol
SMILES N(\C(C(=O)O)=C/C(C(F)(F)F)C)C(=O)c1ccccc1
SPLASH splash10-0a4i-0900000000-c6d68abf7cb8362bb6f9
Source of Spectrum J-54-4517-9
Synonyms (2Z)-2-(benzoylamino)-5,5,5-trifluoro-4-methyl-2-pentenoic acid (Z)-2-Benzamido-4-(trifluoromethyl)-2-pentenoic acid (N-benzoyldehydrotrifluoroleucine)
Wiley ID 1290649