For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(E)-2-(Diethylamino)-3-methyl-4-phenyl-1,1-bis(phenylsulfonyl)-1,3-butadiene
SpectraBase Compound ID 4vB5Pxqr8Vt
InChI InChI=1S/C27H29NO4S2/c1-4-28(5-2)26(22(3)21-23-15-9-6-10-16-23)27(33(29,30)24-17-11-7-12-18-24)34(31,32)25-19-13-8-14-20-25/h6-21H,4-5H2,1-3H3/b22-21+
InChIKey XSIGZJRYRXRLLL-QURGRASLSA-N
Mol Weight 495.65 g/mol
Molecular Formula C27H29NO4S2
Exact Mass 495.153801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1iDhOxdPggI
Name (E)-2-(Diethylamino)-3-methyl-4-phenyl-1,1-bis(phenylsulfonyl)-1,3-butadiene
Alternate Name(s) (E)-N,N-diethyl-3-methyl-4-phenyl-1,1-bis(phenylsulfonyl)buta-1,3-dien-2-amine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H29NO4S2
InChI InChI=1S/C27H29NO4S2/c1-4-28(5-2)26(22(3)21-23-15-9-6-10-16-23)27(33(29,30)24-17-11-7-12-18-24)34(31,32)25-19-13-8-14-20-25/h6-21H,4-5H2,1-3H3/b22-21+
InChIKey XSIGZJRYRXRLLL-QURGRASLSA-N
Literature Reference DOI 10.1002/cber.19881211125
Molecular Weight 495.652 g/mol
SMILES c1c(cccc1)\C=C\(C(N(CC)CC)=C(S(=O)(=O)c1ccccc1)S(c1ccccc1)(=O)=O)C
SPLASH splash10-0fbc-4913000000-14769cea2ad0cc327f07
Source of Spectrum K-121-2055-4a
Wiley ID 1794548