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cis-Methyl 2-hydroxy-3-(p-methoxy)phenyl-3'-(N-tosylamino)propanoate
SpectraBase Compound ID AqXGqruIHWP
InChI InChI=1S/C18H21NO6S/c1-12-4-10-15(11-5-12)26(22,23)19-16(17(20)18(21)25-3)13-6-8-14(24-2)9-7-13/h4-11,16-17,19-20H,1-3H3/t16-,17+/m1/s1
InChIKey SICXKVVHZOAXEA-SJORKVTESA-N
Mol Weight 379.43 g/mol
Molecular Formula C18H21NO6S
Exact Mass 379.108959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7NkyygzDhYQ
Name cis-Methyl 2-hydroxy-3-(p-methoxy)phenyl-3'-(N-tosylamino)propanoate
Alternate Name(s) Methyl (2S,3R)-2-hydroxy-3-(4-methoxyphenyl)-3-{[(4-methylphenyl)sulfonyl]amino}propanoate
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Formula C18H21NO6S
InChI InChI=1S/C18H21NO6S/c1-12-4-10-15(11-5-12)26(22,23)19-16(17(20)18(21)25-3)13-6-8-14(24-2)9-7-13/h4-11,16-17,19-20H,1-3H3/t16-,17+/m1/s1
InChIKey SICXKVVHZOAXEA-SJORKVTESA-N
Molecular Weight 379.427 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)[C@@]([C@@](C(=O)OC)(O)[H])(c1ccc(cc1)OC)[H]
SPLASH splash10-0006-0590000000-2da5187b48980062cb1f
Source of Spectrum KC-61-6552-5
Wiley ID 1629682