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2-(E)-HEPTENOIC ACID, (4S)-4-[((S)-PHENYLALANYL)AMINO]-6-METHYL-, ETHYL ESTER, HYDROCHLORIDE (L-PHE-L-DHSOET.HCL)
SpectraBase Compound ID 6MmQzy4yLOO
InChI InChI=1S/C19H28N2O3.ClH/c1-4-24-18(22)11-10-16(12-14(2)3)21-19(23)17(20)13-15-8-6-5-7-9-15;/h5-11,14,16-17H,4,12-13,20H2,1-3H3,(H,21,23);1H/b11-10+;
InChIKey QPTJYFKZZFNTCE-ASTDGNLGSA-N
Mol Weight 368.91 g/mol
Molecular Formula C19H29ClN2O3
Exact Mass 368.18667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3b4gdxvKUuP
Name 2-(E)-HEPTENOIC ACID, (4S)-4-[((S)-PHENYLALANYL)AMINO]-6-METHYL-, ETHYL ESTER, HYDROCHLORIDE (L-PHE-L-DHSOET.HCL)
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Formula C19H29ClN2O3
InChI InChI=1S/C19H28N2O3.ClH/c1-4-24-18(22)11-10-16(12-14(2)3)21-19(23)17(20)13-15-8-6-5-7-9-15;/h5-11,14,16-17H,4,12-13,20H2,1-3H3,(H,21,23);1H/b11-10+;
InChIKey QPTJYFKZZFNTCE-ASTDGNLGSA-N
Instrument Name 311A
Molecular Weight 368.1860
SMILES Cl.NC(C(=O)NC(CC(C)C)\C=C\C(=O)OCC)Cc1ccccc1
SPLASH splash10-00di-4920000000-ef7283fb139168ae9045
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany