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2-Propenoic acid, 3,3'-[1-(phenylsulfonyl)-1H-pyrrole-2,5-diyl]bis-, diethyl ester, (E,E)-
SpectraBase Compound ID 8ZXyEJ8lbHl
InChI InChI=1S/C20H21NO6S/c1-3-26-19(22)14-12-16-10-11-17(13-15-20(23)27-4-2)21(16)28(24,25)18-8-6-5-7-9-18/h5-15H,3-4H2,1-2H3/b14-12+,15-13+
InChIKey KJYZQZYKABMFJX-QUMQEAAQSA-N
Mol Weight 403.45 g/mol
Molecular Formula C20H21NO6S
Exact Mass 403.108959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8exPbrLNjM8
Name 2-Propenoic acid, 3,3'-[1-(phenylsulfonyl)-1H-pyrrole-2,5-diyl]bis-, diethyl ester, (E,E)-
Alternate Name(s) Diethyl (E,E)-3,3'-[1-(phenylsulfonyl)pyrrole-2,5-diyl]diacrylate Diethyl 3,3'-[1-(benzenesulphonyl)pyrrole-2,5-diyl]diprop-2-enoate ethyl (2E)-3-[5-[(1E)-3-ethoxy-3-oxo-1-propenyl]-1-(phenylsulfonyl)-1H-pyrrol-2-yl]-2-propenoate
CAS Registry Number 95883-04-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NO6S
InChI InChI=1S/C20H21NO6S/c1-3-26-19(22)14-12-16-10-11-17(13-15-20(23)27-4-2)21(16)28(24,25)18-8-6-5-7-9-18/h5-15H,3-4H2,1-2H3/b14-12+,15-13+
InChIKey KJYZQZYKABMFJX-QUMQEAAQSA-N
Molecular Weight 403.449 g/mol
SMILES c1([n](S(=O)(=O)c2ccccc2)c(cc1)\C=C\C(=O)OCC)\C=C\C(=O)OCC
SPLASH splash10-0w29-0040900000-3dfd5a9ff882b9fd5ba2
Source of Spectrum AJ-57-3492-12
Wiley ID 1370831