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Benzoic acid, 3,4,5-trimethoxy-2-[[2-[(phenylmethyl)thio]acetyl]amino]-, methyl ester
SpectraBase Compound ID 3xhW66BX4lB
InChI InChI=1S/C20H23NO6S/c1-24-15-10-14(20(23)27-4)17(19(26-3)18(15)25-2)21-16(22)12-28-11-13-8-6-5-7-9-13/h5-10H,11-12H2,1-4H3,(H,21,22)
InChIKey TWBPXOPJLMKQQK-UHFFFAOYSA-N
Mol Weight 405.47 g/mol
Molecular Formula C20H23NO6S
Exact Mass 405.124609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 21ckGYBv7Y
Name Benzoic acid, 3,4,5-trimethoxy-2-[[2-[(phenylmethyl)thio]acetyl]amino]-, methyl ester
Alternate Name(s) 3,4,5-trimethoxy-2-[[1-oxo-2-(phenylmethylthio)ethyl]amino]benzoic acid methyl ester Methyl 2-[(2-benzylsulfanylacetyl)amino]-3,4,5-trimethoxybenzoate Methyl 2-[(2-benzylsulfanylacetyl)amino]-3,4,5-trimethoxy-benzoate Methyl 3,4,5-trimethoxy-2-[2-(phenylmethylsulfanyl)ethanoylamino]benzoate
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Formula C20H23NO6S
InChI InChI=1S/C20H23NO6S/c1-24-15-10-14(20(23)27-4)17(19(26-3)18(15)25-2)21-16(22)12-28-11-13-8-6-5-7-9-13/h5-10H,11-12H2,1-4H3,(H,21,22)
InChIKey TWBPXOPJLMKQQK-UHFFFAOYSA-N
Molecular Weight 405.465 g/mol
SMILES N(C(CSCc1ccccc1)=O)c1c(c(OC)c(OC)cc1C(=O)OC)OC
SPLASH splash10-0006-7590000000-5ff4e09994212b9a51c6
Source of Spectrum IY-1-4475-2
Wiley ID 1652735