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(Z)-2-acetamido-3-(1-tosylindol-4-yl)acrylic acid methyl ester
SpectraBase Compound ID CQUJsCo25k1
InChI InChI=1S/C21H20N2O5S/c1-14-7-9-17(10-8-14)29(26,27)23-12-11-18-16(5-4-6-20(18)23)13-19(21(25)28-3)22-15(2)24/h4-13H,1-3H3,(H,22,24)/b19-13-
InChIKey LFZBKIDHIGWCQF-UYRXBGFRSA-N
Mol Weight 412.46 g/mol
Molecular Formula C21H20N2O5S
Exact Mass 412.109293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CHkuY42kR5S
Name (Z)-2-acetamido-3-(1-tosylindol-4-yl)acrylic acid methyl ester
Alternate Name(s) (Z)-2-acetamido-3-[1-(4-methylphenyl)sulfonyl-4-indolyl]-2-propenoic acid methyl ester methyl (Z)-2-acetamido-3-[1-(4-methylphenyl)sulfonylindol-4-yl]prop-2-enoate methyl (Z)-2-acetamido-3-[1-(p-tolylsulfonyl)indol-4-yl]prop-2-enoate
Comments Less than 3 mono-isotopic peaks
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Formula C21H20N2O5S
InChI InChI=1S/C21H20N2O5S/c1-14-7-9-17(10-8-14)29(26,27)23-12-11-18-16(5-4-6-20(18)23)13-19(21(25)28-3)22-15(2)24/h4-13H,1-3H3,(H,22,24)/b19-13-
InChIKey LFZBKIDHIGWCQF-UYRXBGFRSA-N
Molecular Weight 412.460 g/mol
SMILES N(\C(=C/c1c2c([n](S(c3ccc(cc3)C)(=O)=O)cc2)ccc1)C(=O)OC)C(=O)C
SPLASH splash10-0bt9-0800900000-ce282bb7ede5dad870e6
Source of Spectrum E1-42-836-16
Wiley ID 1552502