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cis-Methyl 2-hydroxy-3-(p-methyl)phenyl-3'-(N-tosylamino)propanoate
SpectraBase Compound ID HSlcaL8y2zM
InChI InChI=1S/C18H21NO5S/c1-12-4-8-14(9-5-12)16(17(20)18(21)24-3)19-25(22,23)15-10-6-13(2)7-11-15/h4-11,16-17,19-20H,1-3H3/t16-,17+/m1/s1
InChIKey FVCCKJNJKFYLEM-SJORKVTESA-N
Mol Weight 363.43 g/mol
Molecular Formula C18H21NO5S
Exact Mass 363.114044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID xnNxPVIFXY
Name cis-Methyl 2-hydroxy-3-(p-methyl)phenyl-3'-(N-tosylamino)propanoate
Alternate Name(s) Methyl (2S,3R)-2-hydroxy-3-(4-methylphenyl)-3-{[(4-methylphenyl)sulfonyl]amino}propanoate
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Formula C18H21NO5S
InChI InChI=1S/C18H21NO5S/c1-12-4-8-14(9-5-12)16(17(20)18(21)24-3)19-25(22,23)15-10-6-13(2)7-11-15/h4-11,16-17,19-20H,1-3H3/t16-,17+/m1/s1
InChIKey FVCCKJNJKFYLEM-SJORKVTESA-N
Molecular Weight 363.428 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)[C@@]([C@@](C(=O)OC)(O)[H])(c1ccc(cc1)C)[H]
SPLASH splash10-0596-9560000000-59bb30ebc0b0f45fae39
Source of Spectrum KC-61-6552-5
Wiley ID 1629683