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2-(E)-Heptenoic acid, (4S)-4-[(t-butoxycarbonyl-(R)-alanyl)amino]-6-methyl-
SpectraBase Compound ID KNzlCVH39bq
InChI InChI=1S/C16H28N2O5/c1-10(2)9-12(7-8-13(19)20)18-14(21)11(3)17-15(22)23-16(4,5)6/h7-8,10-12H,9H2,1-6H3,(H,17,22)(H,18,21)(H,19,20)/b8-7+
InChIKey RLVAMVBZIDBREQ-BQYQJAHWSA-N
Mol Weight 328.41 g/mol
Molecular Formula C16H28N2O5
Exact Mass 328.199822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FiEqIjDiAqS
Name 2-(E)-HEPTENOIC ACID, (4S)-4-[(tert-BUTYLOXYCARBONYL-(R)-ALANYL)AMINO]-6-METHYL- (BOC-D-ALA-L-DHSOH)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H28N2O5
InChI InChI=1S/C16H28N2O5/c1-10(2)9-12(7-8-13(19)20)18-14(21)11(3)17-15(22)23-16(4,5)6/h7-8,10-12H,9H2,1-6H3,(H,17,22)(H,18,21)(H,19,20)/b8-7+
InChIKey RLVAMVBZIDBREQ-BQYQJAHWSA-N
Instrument Name 311A
Molecular Weight 328.1991
SMILES N(C(C(NC(\C=C\C(=O)O)CC(C)C)=O)C)C(=O)OC(C)(C)C
SPLASH splash10-0006-9200000000-8bbf0eeaaad6ba104a79
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany