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]-1-(pyridin-2-yl)-1H-indole
SpectraBase Compound ID 7QT3DWK9rTm
InChI InChI=1S/C30H26N2O4S2/c33-37(34,26-15-3-1-4-16-26)30(38(35,36)27-17-5-2-6-18-27)21-10-8-14-25-23-24-13-7-9-19-28(24)32(25)29-20-11-12-22-31-29/h1-13,15-20,22-23,30H,14,21H2/b10-8+
InChIKey ALHLSKCEJORVJK-CSKARUKUSA-N
Mol Weight 542.67 g/mol
Molecular Formula C30H26N2O4S2
Exact Mass 542.1334 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 6fwmo1DvmVI
Name (E)-2-[5,5-Bis(phenylsulfonyl)pent-2-en-1-yl]-1-(pyridin-2-yl)-1H-indole
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 542.133399669 u
Formula C30H26N2O4S2
InChI InChI=1S/C30H26N2O4S2/c33-37(34,26-15-3-1-4-16-26)30(38(35,36)27-17-5-2-6-18-27)21-10-8-14-25-23-24-13-7-9-19-28(24)32(25)29-20-11-12-22-31-29/h1-13,15-20,22-23,30H,14,21H2/b10-8+
InChIKey ALHLSKCEJORVJK-CSKARUKUSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/chem.201701191
Molecular Weight 542.668 g/mol
Quality 173
Reported Formula C30H26N2O4S2
SMILES C(S(C1=CC=CC=C1)(=O)=O)(C\C=C\CC=1N(C2=C(C1)C=CC=C2)C1=NC=CC=C1)S(C1=CC=CC=C1)(=O)=O
SPLASH splash10-066s-2090000000-66191003954f0f9e2894
Sample Comments E/Z = 8:1
Source of Spectrum QE-23-SM21-(E)-3ac (DOI: 10.1002/chem.201701191)
Wiley ID 1905446