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2-(E)-Heptenoic acid, (4S)-4-[(t-butoxycarbonyl-(R)-alanyl)amino]-6-methyl-, ethyl ester
SpectraBase Compound ID SQGBo08WBr
InChI InChI=1S/C18H32N2O5/c1-8-24-15(21)10-9-14(11-12(2)3)20-16(22)13(4)19-17(23)25-18(5,6)7/h9-10,12-14H,8,11H2,1-7H3,(H,19,23)(H,20,22)/b10-9+
InChIKey QHZSZANYKZOFQJ-MDZDMXLPSA-N
Mol Weight 356.5 g/mol
Molecular Formula C18H32N2O5
Exact Mass 356.231122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DLs0al82nzr
Name 2-(E)-HEPTENOIC ACID, (4S)-4-[(tert-BUTYLOXYCARBONYL)-(S)-ALANYLAMINO]-6-METHYL-, ETHYL ESTER (BOC-L-ALA-L-DHSOET)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H32N2O5
InChI InChI=1S/C18H32N2O5/c1-8-24-15(21)10-9-14(11-12(2)3)20-16(22)13(4)19-17(23)25-18(5,6)7/h9-10,12-14H,8,11H2,1-7H3,(H,19,23)(H,20,22)/b10-9+
InChIKey QHZSZANYKZOFQJ-MDZDMXLPSA-N
Instrument Name 311A
Molecular Weight 356.2303
SMILES N(C(C(NC(CC(C)C)\C=C\C(=O)OCC)=O)C)C(=O)OC(C)(C)C
SPLASH splash10-0006-9310000000-d88d4bb50797607e1f9f
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany