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

*Links on SpectraBase are not permalinks.
(E)-2-[5,5-Bis(phenylsulfonyl)pent-2-en-1-yl]-5-methoxy-1-(pyridin-2-yl)-1H-indole
SpectraBase Compound ID BJwvywfqEya
InChI InChI=1S/C31H28N2O5S2/c1-38-26-19-20-29-24(23-26)22-25(33(29)30-17-10-11-21-32-30)12-8-9-18-31(39(34,35)27-13-4-2-5-14-27)40(36,37)28-15-6-3-7-16-28/h2-11,13-17,19-23,31H,12,18H2,1H3/b9-8+
InChIKey GZWHNDRJEZJCCD-CMDGGOBGSA-N
Mol Weight 572.69 g/mol
Molecular Formula C31H28N2O5S2
Exact Mass 572.143964 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 47AxZOfGKhf
Name (E)-2-[5,5-Bis(phenylsulfonyl)pent-2-en-1-yl]-5-methoxy-1-(pyridin-2-yl)-1H-indole
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 572.143964353 u
Formula C31H28N2O5S2
InChI InChI=1S/C31H28N2O5S2/c1-38-26-19-20-29-24(23-26)22-25(33(29)30-17-10-11-21-32-30)12-8-9-18-31(39(34,35)27-13-4-2-5-14-27)40(36,37)28-15-6-3-7-16-28/h2-11,13-17,19-23,31H,12,18H2,1H3/b9-8+
InChIKey GZWHNDRJEZJCCD-CMDGGOBGSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/chem.201701191
Molecular Weight 572.694 g/mol
Quality 165
Reported Formula C31H28N2O5S2
SMILES C(S(C1=CC=CC=C1)(=O)=O)(C\C=C\CC=1N(C2=C(C1)C=C(C=C2)OC)C1=NC=CC=C1)S(C1=CC=CC=C1)(=O)=O
SPLASH splash10-004j-1090010000-74e5d560f6063985efe8
Sample Comments E/Z = 9:1
Source of Spectrum QE-23-SM22-(E)-3cc (DOI: 10.1002/chem.201701191)
Wiley ID 1905449