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

*Links on SpectraBase are not permalinks.
4-[3,3-Di(hydroxymethyl)prop-2-enyl]-N-tosy-3-(2,2-dimethoxyethyl)indole
SpectraBase Compound ID KDgqnmGYeRc
InChI InChI=1S/C24H29NO6S/c1-17-7-11-21(12-8-17)32(28,29)25-14-20(13-23(30-2)31-3)24-19(5-4-6-22(24)25)10-9-18(15-26)16-27/h4-9,11-12,14,23,26-27H,10,13,15-16H2,1-3H3
InChIKey VOVXBOMESWVQFH-UHFFFAOYSA-N
Mol Weight 459.56 g/mol
Molecular Formula C24H29NO6S
Exact Mass 459.171559 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 LgVFL1QiTK
Name 4-[3,3-Di(hydroxymethyl)prop-2-enyl]-N-tosy-3-(2,2-dimethoxyethyl)indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H29NO6S
InChI InChI=1S/C24H29NO6S/c1-17-7-11-21(12-8-17)32(28,29)25-14-20(13-23(30-2)31-3)24-19(5-4-6-22(24)25)10-9-18(15-26)16-27/h4-9,11-12,14,23,26-27H,10,13,15-16H2,1-3H3
InChIKey VOVXBOMESWVQFH-UHFFFAOYSA-N
Molecular Weight 459.557 g/mol
SMILES OCC(CO)=CCc1c2c([n](S(c3ccc(cc3)C)(=O)=O)cc2CC(OC)OC)ccc1
SPLASH splash10-004i-9000000000-6ceb03b56b0eb721e6e0
Source of Spectrum H1-43-1506-0
Synonyms 2-(2-{3-(2,2-dimethoxyethyl)-1-[(4-methylphenyl)sulfonyl]-1H-indol-4-yl}ethylidene)-1,3-propanediol
Wiley ID 757891