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N-benzoyl-a-benzylthioglycine methyl ester
SpectraBase Compound ID LpBWfOJjfN4
InChI InChI=1S/C17H17NO3S/c1-21-17(20)16(22-12-13-8-4-2-5-9-13)18-15(19)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3,(H,18,19)
InChIKey SJKPIDFBKAHIJC-UHFFFAOYSA-N
Mol Weight 315.39 g/mol
Molecular Formula C17H17NO3S
Exact Mass 315.092915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 23iiKznlD8M
Name N-benzoyl-a-benzylthioglycine methyl ester
Alternate Name(s) Methyl (benzoylamino)(benzylsulfanyl)acetate
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Formula C17H17NO3S
InChI InChI=1S/C17H17NO3S/c1-21-17(20)16(22-12-13-8-4-2-5-9-13)18-15(19)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3,(H,18,19)
InChIKey SJKPIDFBKAHIJC-UHFFFAOYSA-N
Molecular Weight 315.387 g/mol
SMILES N(C(=O)c1ccccc1)C(C(=O)OC)SCc1ccccc1
SPLASH splash10-0adl-7940000000-997680d6ce089e5b1c0a
Source of Spectrum B-47-859-0
Wiley ID 1315953