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2-(E)-Pentenoic acid, (4S)-4-[(t-butoxycarbonyl-(S)-alanyl)amino]-5-phenyl-, ethyl ester
SpectraBase Compound ID BEAdpjGwAwL
InChI InChI=1S/C21H30N2O5/c1-6-27-18(24)13-12-17(14-16-10-8-7-9-11-16)23-19(25)15(2)22-20(26)28-21(3,4)5/h7-13,15,17H,6,14H2,1-5H3,(H,22,26)(H,23,25)/b13-12+
InChIKey RXWHMQZFSQISSH-OUKQBFOZSA-N
Mol Weight 390.48 g/mol
Molecular Formula C21H30N2O5
Exact Mass 390.215472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FOhjOXikO8W
Name 2-(E)-PENTENOIC ACID, (4S)-4-[(tert-BUTYLOXYCARBONYL-(S)-ALANYL)AMINO]-5-PHENYL-, ETHYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H30N2O5
InChI InChI=1S/C21H30N2O5/c1-6-27-18(24)13-12-17(14-16-10-8-7-9-11-16)23-19(25)15(2)22-20(26)28-21(3,4)5/h7-13,15,17H,6,14H2,1-5H3,(H,22,26)(H,23,25)/b13-12+
InChIKey RXWHMQZFSQISSH-OUKQBFOZSA-N
Instrument Name 311A
Molecular Weight 390.2147
SMILES N(C(C(NC(\C=C\C(OCC)=O)Cc1ccccc1)=O)C)C(=O)OC(C)(C)C
SPLASH splash10-004l-9710000000-e2006d80033bbb982473
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany