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(2R)-2-acetamido-3-(3,4-dihydro-2H-quinoline-1-carbonylthio)propionic acid methyl ester
SpectraBase Compound ID 1QMozZCaEV1
InChI InChI=1S/C16H20N2O4S/c1-11(19)17-13(15(20)22-2)10-23-16(21)18-9-5-7-12-6-3-4-8-14(12)18/h3-4,6,8,13H,5,7,9-10H2,1-2H3,(H,17,19)/t13-/m0/s1
InChIKey RKFCMKSUULRMCM-ZDUSSCGKSA-N
Mol Weight 336.41 g/mol
Molecular Formula C16H20N2O4S
Exact Mass 336.114378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 58OITxUj2m
Name (2R)-2-acetamido-3-(3,4-dihydro-2H-quinoline-1-carbonylthio)propionic acid methyl ester
Alternate Name(s) (2R)-2-acetamido-3-[[3,4-dihydro-2H-quinolin-1-yl(oxo)methyl]thio]propanoic acid methyl ester Methyl (2R)-2-acetamido-3-(3,4-dihydro-2H-quinolin-1-ylcarbonylsulfanyl)propanoate Methyl (2R)-2-acetamido-3-(3,4-dihydro-2H-quinoline-1-carbonylsulfanyl)propanoate
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Formula C16H20N2O4S
InChI InChI=1S/C16H20N2O4S/c1-11(19)17-13(15(20)22-2)10-23-16(21)18-9-5-7-12-6-3-4-8-14(12)18/h3-4,6,8,13H,5,7,9-10H2,1-2H3,(H,17,19)/t13-/m0/s1
InChIKey RKFCMKSUULRMCM-ZDUSSCGKSA-N
Molecular Weight 336.406 g/mol
SMILES N([C@@](CSC(N1c2c(cccc2)CCC1)=O)(C(=O)OC)[H])C(=O)C
SPLASH splash10-03e9-0902000000-3637e374ce2f4580d9a3
Source of Spectrum KC-61-7168-9
Wiley ID 1629906