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Methyl (2E)-3-(4-Chlorophenyl)-2-[(toluene-4-sulfonylamino)methyl]acrylate
SpectraBase Compound ID 97C0Pw7W4IK
InChI InChI=1S/C18H18ClNO4S/c1-13-3-9-17(10-4-13)25(22,23)20-12-15(18(21)24-2)11-14-5-7-16(19)8-6-14/h3-11,20H,12H2,1-2H3/b15-11+
InChIKey PTZFRIVYHQRAAX-RVDMUPIBSA-N
Mol Weight 379.86 g/mol
Molecular Formula C18H18ClNO4S
Exact Mass 379.064507 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Atn7IH0j6N7
Name Methyl (2E)-3-(4-Chlorophenyl)-2-[(toluene-4-sulfonylamino)methyl]acrylate
Alternate Name(s) methyl (2E)-3-(4-chlorophenyl)-2-({[(4-methylphenyl)sulfonyl]amino}methyl)-2-propenoate
Comments Less than 3 mono-isotopic peaks
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Formula C18H18ClNO4S
InChI InChI=1S/C18H18ClNO4S/c1-13-3-9-17(10-4-13)25(22,23)20-12-15(18(21)24-2)11-14-5-7-16(19)8-6-14/h3-11,20H,12H2,1-2H3/b15-11+
InChIKey PTZFRIVYHQRAAX-RVDMUPIBSA-N
Molecular Weight 379.858 g/mol
SMILES N(C\C(C(=O)OC)=C/c1ccc(cc1)Cl)S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-00di-0090000000-f5cddc2b280fa437d454
Source of Spectrum F-69-424-12
Wiley ID 1594482