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(E)-2-[5,5-Bis(phenylsulfonyl)pent-2-en-1-yl]-5-fluoro-1-(pyridin-2-yl)-1H-indole
SpectraBase Compound ID JZDH4KPe6BL
InChI InChI=1S/C30H25FN2O4S2/c31-24-18-19-28-23(21-24)22-25(33(28)29-16-9-10-20-32-29)11-7-8-17-30(38(34,35)26-12-3-1-4-13-26)39(36,37)27-14-5-2-6-15-27/h1-10,12-16,18-22,30H,11,17H2/b8-7+
InChIKey OAKXXIOFSLXPGW-BQYQJAHWSA-N
Mol Weight 560.66 g/mol
Molecular Formula C30H25FN2O4S2
Exact Mass 560.123978 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HDTd5kY1ZMm
Name (E)-2-[5,5-Bis(phenylsulfonyl)pent-2-en-1-yl]-5-fluoro-1-(pyridin-2-yl)-1H-indole
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H25FN2O4S2
InChI InChI=1S/C30H25FN2O4S2/c31-24-18-19-28-23(21-24)22-25(33(28)29-16-9-10-20-32-29)11-7-8-17-30(38(34,35)26-12-3-1-4-13-26)39(36,37)27-14-5-2-6-15-27/h1-10,12-16,18-22,30H,11,17H2/b8-7+
InChIKey OAKXXIOFSLXPGW-BQYQJAHWSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/chem.201701191
Molecular Weight 560.658 g/mol
Quality 73
SMILES C(S(C1=CC=CC=C1)(=O)=O)(C\C=C\CC=1N(C2=C(C1)C=C(C=C2)F)C1=NC=CC=C1)S(C1=CC=CC=C1)(=O)=O
SPLASH splash10-00ri-0090000000-0d2aaaa7dd92b5446288
Sample Comments E/Z = 10:1
Source of Spectrum QE-23-SM23-(E)-3dc (DOI: 10.1002/chem.201701191)
Wiley ID 1905451