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2-(E)-HEPTENOIC ACID, (4S)-4-[((R)-ALANYL)AMINO]-6-METHYL-, ETHYL ESTER, HYDROCHLORIDE (D-ALA-L-DHSOET.HCL)
SpectraBase Compound ID 3kYsbA4Ru1b
InChI InChI=1S/C13H24N2O3.ClH/c1-5-18-12(16)7-6-11(8-9(2)3)15-13(17)10(4)14;/h6-7,9-11H,5,8,14H2,1-4H3,(H,15,17);1H/b7-6+;
InChIKey MQSAODWAQLZCLM-UHDJGPCESA-N
Mol Weight 292.81 g/mol
Molecular Formula C13H25ClN2O3
Exact Mass 292.15537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3GNZ1DyoEJO
Name 2-(E)-HEPTENOIC ACID, (4S)-4-[((S)-ALANYL)AMINO]-6-METHYL-, ETHYL ESTER, HYDROCHLORIDE (L-ALA-L-DHSOET.HCL)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H25ClN2O3
InChI InChI=1S/C13H24N2O3.ClH/c1-5-18-12(16)7-6-11(8-9(2)3)15-13(17)10(4)14;/h6-7,9-11H,5,8,14H2,1-4H3,(H,15,17);1H/b7-6+;
InChIKey MQSAODWAQLZCLM-UHDJGPCESA-N
Instrument Name 311A
Molecular Weight 292.1548
SMILES Cl.NC(C(=O)NC(CC(C)C)\C=C\C(=O)OCC)C
SPLASH splash10-0006-9100000000-8112bec06fc49ce5c5b9
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany