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

*Links on SpectraBase are not permalinks.
(Z)-5-(2-((1-(4-Bromobenzyl)-1H-1,2,3-triazol-4-yl)methoxy)benzylidene)-2-(pyridin-4-ylamino)thiazol-4(5H)-one
SpectraBase Compound ID 4M9xOGT3pxP
InChI InChI=1S/C25H19BrN6O2S/c26-19-7-5-17(6-8-19)14-32-15-21(30-31-32)16-34-22-4-2-1-3-18(22)13-23-24(33)29-25(35-23)28-20-9-11-27-12-10-20/h1-13,15H,14,16H2,(H,27,28,29,33)/b23-13-
InChIKey JVSCCBAXGUKSLO-QRVIBDJDSA-N
Mol Weight 547.43 g/mol
Molecular Formula C25H19BrN6O2S
Exact Mass 546.047358 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 wbwVxPiMhK
Name (Z)-5-(2-((1-(4-Bromobenzyl)-1H-1,2,3-triazol-4-yl)methoxy)benzylidene)-2-(pyridin-4-ylamino)thiazol-4(5H)-one
Appearance Cream solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H19BrN6O2S
InChI InChI=1S/C25H19BrN6O2S/c26-19-7-5-17(6-8-19)14-32-15-21(30-31-32)16-34-22-4-2-1-3-18(22)13-23-24(33)29-25(35-23)28-20-9-11-27-12-10-20/h1-13,15H,14,16H2,(H,27,28,29,33)/b23-13-
InChIKey JVSCCBAXGUKSLO-QRVIBDJDSA-N
Instrument Name Finnigan-Mat 8430
Ionization Type EI
Literature Reference DOI 10.1002/aoc.5962
Molecular Weight 547.431 g/mol
SMILES N(C1=NC(\C(=C\c2ccccc2OCc2nn[n](c2)Cc2ccc(cc2)Br)S1)=O)c1ccncc1
SPLASH splash10-05ox-9753000000-5d9ff77155dea72bf28a
Source of Spectrum AOC-34-SM27-9d
Wiley ID 1855742