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

*Links on SpectraBase are not permalinks.
3-BENZYL-2-[(E)-2-[5-(ETHOXYCARBONYL)-4-BENZYL-FURO-[3,2-B]-PYRROL-2-YL]-VINYL]-1,3-BENZOTHIAZOLIUM-BROMIDE
SpectraBase Compound ID I21uYt19Sd0
InChI InChI=1S/C32H27N2O3S.BrH/c1-2-36-32(35)28-20-29-27(33(28)21-23-11-5-3-6-12-23)19-25(37-29)17-18-31-34(22-24-13-7-4-8-14-24)26-15-9-10-16-30(26)38-31;/h3-20H,2,21-22H2,1H3;1H/q+1;/p-1
InChIKey VMEJCOMJZFBVLC-UHFFFAOYSA-M
Mol Weight 599.5 g/mol
Molecular Formula C32H27BrN2O3S
Exact Mass 598.092577 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 3KN6m5N7pDf
Name 3-BENZYL-2-[(E)-2-[5-(ETHOXYCARBONYL)-4-BENZYL-FURO-[3,2-B]-PYRROL-2-YL]-VINYL]-1,3-BENZOTHIAZOLIUM-BROMIDE
Compound Number 8D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H27BrN2O3S
InChI InChI=1S/C32H27N2O3S.BrH/c1-2-36-32(35)28-20-29-27(33(28)21-23-11-5-3-6-12-23)19-25(37-29)17-18-31-34(22-24-13-7-4-8-14-24)26-15-9-10-16-30(26)38-31;/h3-20H,2,21-22H2,1H3;1H/q+1;/p-1
InChIKey VMEJCOMJZFBVLC-UHFFFAOYSA-M
Literature Reference Author Z.PUTEROVA,A.KRUTOSIKOVA,A.LYCKA,T.DURCEKOVA
Literature Reference Citation MOLECULES,9,241(2004)
Literature Reference DOI 10.3390/90400241
Molecular Weight 599.542 g/mol
Solvent DMSO-D6
Source File Reference UWMS5913