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2-(E)-Pentenoic acid, (4S)-dibenzylamino)-, ethyl ester
SpectraBase Compound ID 44tgdEXPL5Q
InChI InChI=1S/C21H25NO2/c1-3-24-21(23)15-14-18(2)22(16-19-10-6-4-7-11-19)17-20-12-8-5-9-13-20/h4-15,18H,3,16-17H2,1-2H3/b15-14+
InChIKey JKYVHNGUIMNYCY-CCEZHUSRSA-N
Mol Weight 323.44 g/mol
Molecular Formula C21H25NO2
Exact Mass 323.188529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C6W9SbfOEsn
Name 2-(E)-Pentenoic acid, (4S)-dibenzylamino)-, ethyl ester
CAS Registry Number 123725-86-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO2
InChI InChI=1S/C21H25NO2/c1-3-24-21(23)15-14-18(2)22(16-19-10-6-4-7-11-19)17-20-12-8-5-9-13-20/h4-15,18H,3,16-17H2,1-2H3/b15-14+
InChIKey JKYVHNGUIMNYCY-CCEZHUSRSA-N
Molecular Weight 323.436 g/mol
SMILES c1cc(CN(Cc2ccccc2)C(C)\C=C\C(=O)OCC)ccc1
SPLASH splash10-0006-9143000000-8876f430e5178a53e064
Synonyms (E)-4-(dibenzylamino)pent-2-enoic acid ethyl ester (E)-4-[bis(phenylmethyl)amino]-2-pentenoic acid ethyl ester Ethyl (2E)-4-(dibenzylamino)-2-pentenoate Ethyl (E)-4-(dibenzylamino)pent-2-enoate Ethyl (E)-4-[bis(phenylmethyl)amino]pent-2-enoate
Wiley ID 1490625