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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 2lEgd7cfadB
Name 2-(E)-PENTENOIC ACID, (4S)-DIBENZYLAMINO)-, ETHYL ESTER
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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 323.1879
SMILES c1(ccccc1)CN(Cc1ccccc1)C(\C=C\C(OCC)=O)C
SPLASH splash10-0006-9142000000-34b0b79dc8b685ba69d6
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany