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(Z)-5-(2-((1-(4-Bromobenzyl)-1H-1,2,3-triazol-4-yl)methoxy)benzylidene)-2-(phenylamino)thiazol-4(5H)-one
SpectraBase Compound ID 14Ttx5MwD1z
InChI InChI=1S/C26H20BrN5O2S/c27-20-12-10-18(11-13-20)15-32-16-22(30-31-32)17-34-23-9-5-4-6-19(23)14-24-25(33)29-26(35-24)28-21-7-2-1-3-8-21/h1-14,16H,15,17H2,(H,28,29,33)/b24-14-
InChIKey CCPRDVYPTGEUSF-OYKKKHCWSA-N
Mol Weight 546.44 g/mol
Molecular Formula C26H20BrN5O2S
Exact Mass 545.052109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 914LLTGJFw4
Name (Z)-5-(2-((1-(4-Bromobenzyl)-1H-1,2,3-triazol-4-yl)methoxy)benzylidene)-2-(phenylamino)thiazol-4(5H)-one
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H20BrN5O2S
InChI InChI=1S/C26H20BrN5O2S/c27-20-12-10-18(11-13-20)15-32-16-22(30-31-32)17-34-23-9-5-4-6-19(23)14-24-25(33)29-26(35-24)28-21-7-2-1-3-8-21/h1-14,16H,15,17H2,(H,28,29,33)/b24-14-
InChIKey CCPRDVYPTGEUSF-OYKKKHCWSA-N
Instrument Name Finnigan-Mat 8430
Ionization Type EI
Literature Reference DOI 10.1002/aoc.5962
Molecular Weight 546.443 g/mol
SMILES N(C1=NC(\C(=C\c2ccccc2OCc2nn[n](c2)Cc2ccc(cc2)Br)S1)=O)c1ccccc1
SPLASH splash10-0104-2920000000-3402aba38a3d669332ea
Source of Spectrum AOC-34-SM25-9c
Wiley ID 1855741