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S-(2-{[(benzyloxy)carbonyl]amino}-1-phenylethyl) ethanethioate
SpectraBase Compound ID 3sZkATQ4T5f
InChI InChI=1S/C18H19NO3S/c1-14(20)23-17(16-10-6-3-7-11-16)12-19-18(21)22-13-15-8-4-2-5-9-15/h2-11,17H,12-13H2,1H3,(H,19,21)
InChIKey OODWPFAMSOHECP-UHFFFAOYSA-N
Mol Weight 329.41 g/mol
Molecular Formula C18H19NO3S
Exact Mass 329.108565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LdXp3ZBHHe0
Name S-(2-{[(benzyloxy)carbonyl]amino}-1-phenylethyl) ethanethioate
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Formula C18H19NO3S
InChI InChI=1S/C18H19NO3S/c1-14(20)23-17(16-10-6-3-7-11-16)12-19-18(21)22-13-15-8-4-2-5-9-15/h2-11,17H,12-13H2,1H3,(H,19,21)
InChIKey OODWPFAMSOHECP-UHFFFAOYSA-N
Molecular Weight 329.414 g/mol
SMILES N(C(=O)OCc1ccccc1)CC(SC(=O)C)c1ccccc1
SPLASH splash10-0006-9040000000-434f16c464bf8073bbe3
Source of Spectrum C5-2004-279-7
Synonyms Ethanethioic acid S-[1-phenyl-2-(phenylmethoxycarbonylamino)ethyl] ester S-[2-(benzyloxycarbonylamino)-1-phenyl-ethyl] ethanethioate S-[1-phenyl-2-(phenylmethoxycarbonylamino)ethyl] ethanethioate
Wiley ID 1616447