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3-(acetylthio)-2-(benzyloxycarbonylamino)propionic acid methyl ester
SpectraBase Compound ID hArUbctqv4
InChI InChI=1S/C14H17NO5S/c1-10(16)21-9-12(13(17)19-2)15-14(18)20-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,15,18)
InChIKey QEVUMTGJLQDRSG-UHFFFAOYSA-N
Mol Weight 311.35 g/mol
Molecular Formula C14H17NO5S
Exact Mass 311.082744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F0Gy7NnTbay
Name 3-(acetylthio)-2-(benzyloxycarbonylamino)propionic acid methyl ester
Alternate Name(s) 3-(acetylthio)-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester methyl 3-acetylsulfanyl-2-(phenylmethoxycarbonylamino)propanoate methyl 3-ethanoylsulfanyl-2-(phenylmethoxycarbonylamino)propanoate
Comments Less than 3 mono-isotopic peaks
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Formula C14H17NO5S
InChI InChI=1S/C14H17NO5S/c1-10(16)21-9-12(13(17)19-2)15-14(18)20-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,15,18)
InChIKey QEVUMTGJLQDRSG-UHFFFAOYSA-N
Molecular Weight 311.352 g/mol
SMILES N(C(=O)OCc1ccccc1)C(C(=O)OC)CSC(=O)C
SPLASH splash10-0006-9000000000-6e30c0e656f6aaf90771
Source of Spectrum D1-2001-1958-14
Wiley ID 851212