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(S)-3-Mercapto-2-(1-methyl-hexahydroazepine-2-ylidene-amino)-propanoic Acid
SpectraBase Compound ID AZDddUns4Gr
InChI InChI=1S/C10H18N2O2S/c1-12-6-4-2-3-5-9(12)11-8(7-15)10(13)14/h8,15H,2-7H2,1H3,(H,13,14)/t8-/m1/s1
InChIKey YWCBQQIRMJYFHS-MRVPVSSYSA-N
Mol Weight 230.33 g/mol
Molecular Formula C10H18N2O2S
Exact Mass 230.108899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LuZsX755fMO
Name (S)-3-Mercapto-2-(1-methyl-hexahydroazepine-2-ylidene-amino)-propanoic Acid
Alternate Name(s) (S)-3-mercapto-2-((1-methylazepan-2-ylidene)amino)propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18N2O2S
InChI InChI=1S/C10H18N2O2S/c1-12-6-4-2-3-5-9(12)11-8(7-15)10(13)14/h8,15H,2-7H2,1H3,(H,13,14)/t8-/m1/s1
InChIKey YWCBQQIRMJYFHS-MRVPVSSYSA-N
Literature Reference DOI 10.1002/prac.199533701117
Molecular Weight 230.326 g/mol
SMILES SC[C@](C(=O)O)(N=C1N(CCCCC1)C)[H]
SPLASH splash10-0536-9000000000-6d4e90fb91cf77d2a0a3
Source of Spectrum JF-337-552-3c
Wiley ID 1789940