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4-Pentenoic acid, 2-[1-(benzoylamino)ethyl]-, methyl ester, (R*,R*)-(.+-.)-
SpectraBase Compound ID DhD0INAOG5H
InChI InChI=1S/C15H19NO3/c1-4-8-13(15(18)19-3)11(2)16-14(17)12-9-6-5-7-10-12/h4-7,9-11,13H,1,8H2,2-3H3,(H,16,17)/t11-,13-/m1/s1
InChIKey CITCMVJQQJKRCC-DGCLKSJQSA-N
Mol Weight 261.32 g/mol
Molecular Formula C15H19NO3
Exact Mass 261.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8peBh0QOh5o
Name 4-Pentenoic acid, 2-[1-(benzoylamino)ethyl]-, methyl ester, (R*,R*)-(.+-.)-
CAS Registry Number 112979-46-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H19NO3
InChI InChI=1S/C15H19NO3/c1-4-8-13(15(18)19-3)11(2)16-14(17)12-9-6-5-7-10-12/h4-7,9-11,13H,1,8H2,2-3H3,(H,16,17)/t11-,13-/m1/s1
InChIKey CITCMVJQQJKRCC-DGCLKSJQSA-N
Molecular Weight 261.321 g/mol
SMILES N(C(=O)c1ccccc1)[C@@]([C@](C(=O)OC)(CC=C)[H])(C)[H]
SPLASH splash10-0a4i-3900000000-44b07d1bd1f1a498c80f
Source of Spectrum H-71-1834-15
Synonyms (L) Methyl 2-allyl-3-(benzoylamino)butanoate Methyl (2R)-2-[(1R)-1-(benzoylamino)ethyl]-4-pentenoate (2R)-2-[(1R)-1-benzamidoethyl]-4-pentenoic acid methyl ester Methyl (2R)-2-[(1R)-1-benzamidoethyl]pent-4-enoate
Wiley ID 1264829