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(E)-2-[(4-Methoxyphenyl)(toluene-4-sulfonylamino)methyl]but-2-enoic acid vinyl ester
SpectraBase Compound ID 5DF2Xu9NVtx
InChI InChI=1S/C21H23NO5S/c1-5-19(21(23)27-6-2)20(16-9-11-17(26-4)12-10-16)22-28(24,25)18-13-7-15(3)8-14-18/h5-14,20,22H,2H2,1,3-4H3/b19-5+
InChIKey CPZDXCRROXPYLQ-PTXOJBNSSA-N
Mol Weight 401.48 g/mol
Molecular Formula C21H23NO5S
Exact Mass 401.129694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LYkmOKx8bMy
Name (E)-2-[(4-Methoxyphenyl)(toluene-4-sulfonylamino)methyl]but-2-enoic acid vinyl ester
Alternate Name(s) vinyl (2E)-2-((4-methoxyphenyl){[(4-methylphenyl)sulfonyl]amino}methyl)-2-butenoate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO5S
InChI InChI=1S/C21H23NO5S/c1-5-19(21(23)27-6-2)20(16-9-11-17(26-4)12-10-16)22-28(24,25)18-13-7-15(3)8-14-18/h5-14,20,22H,2H2,1,3-4H3/b19-5+
InChIKey CPZDXCRROXPYLQ-PTXOJBNSSA-N
Molecular Weight 401.477 g/mol
SMILES N(C(\C(C(=O)OC=C)=C/C)c1ccc(cc1)OC)S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-0002-0090000000-56c4b87dbb490859be1a
Source of Spectrum F-62-468-3
Wiley ID 1631878