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Benzyl N-(benzyloxycarbonyl)dithioglycine
SpectraBase Compound ID EajRcTapWXl
InChI InChI=1S/C17H17NO2S2/c19-17(20-12-14-7-3-1-4-8-14)18-11-16(21)22-13-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,18,19)
InChIKey QMXRBNAYYZKJJT-UHFFFAOYSA-N
Mol Weight 331.45 g/mol
Molecular Formula C17H17NO2S2
Exact Mass 331.070071 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E8aZNWsbb2g
Name Benzyl N-(benzyloxycarbonyl)dithioglycine
CAS Registry Number 140903-21-5
Comments Less than 3 mono-isotopic peaks
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Formula C17H17NO2S2
InChI InChI=1S/C17H17NO2S2/c19-17(20-12-14-7-3-1-4-8-14)18-11-16(21)22-13-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,18,19)
InChIKey QMXRBNAYYZKJJT-UHFFFAOYSA-N
Molecular Weight 331.448 g/mol
SMILES N(C(=O)OCc1ccccc1)CC(=S)SCc1ccccc1
SPLASH splash10-0006-9000000000-be991d860fecef33801e
Source of Spectrum U-1992-600-3
Synonyms benzyl {[(benzyloxy)carbonyl]amino}ethanedithioate
Wiley ID 764113