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(E)-methyl 4-(N-(2-((E)-3-hydroxyprop-1-en-1-yl)phenyl)-4-methylphenylsulfonamido)but-2-enoate
SpectraBase Compound ID LFTUWLu3oY8
InChI InChI=1S/C21H23NO5S/c1-17-11-13-19(14-12-17)28(25,26)22(15-5-10-21(24)27-2)20-9-4-3-7-18(20)8-6-16-23/h3-14,23H,15-16H2,1-2H3/b8-6+,10-5+
InChIKey NRSHWGKCLVYOAO-SOYUKNQTSA-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 HSvZYgnqowg
Name (E)-methyl 4-(N-(2-((E)-3-hydroxyprop-1-en-1-yl)phenyl)-4-methylphenylsulfonamido)but-2-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO5S
InChI InChI=1S/C21H23NO5S/c1-17-11-13-19(14-12-17)28(25,26)22(15-5-10-21(24)27-2)20-9-4-3-7-18(20)8-6-16-23/h3-14,23H,15-16H2,1-2H3/b8-6+,10-5+
InChIKey NRSHWGKCLVYOAO-SOYUKNQTSA-N
Literature Reference DOI 10.1021/ol401240z
Molecular Weight 401.477 g/mol
SMILES OC\C=C\c1c(cccc1)N(S(c1ccc(cc1)C)(=O)=O)C\C=C\C(OC)=O
SPLASH splash10-014l-5090000000-178c858cd545a2e305df
Source of Spectrum A1-15-3054/SMS12-S11
Wiley ID 1748749