| SpectraBase Spectrum ID |
IQ9L8DK4crX |
| Name |
4-Azido-1-(4-chlorophenyl)-3-(5-ethylthio-4-phenyl-4H-1,2,4-triazol-3-yl)-1H-pyrazol-5-yl)(4-bromophenyl)methanone |
| Appearance |
Colorless crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H18BrClN8OS |
| InChI |
InChI=1S/C26H18BrClN8OS/c1-2-38-26-32-31-25(35(26)19-6-4-3-5-7-19)22-21(30-34-29)23(24(37)16-8-10-17(27)11-9-16)36(33-22)20-14-12-18(28)13-15-20/h3-15H,2H2,1H3 |
| InChIKey |
DXUMMYFJUVSCRA-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GCMS-QP 1000 EX |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2363 |
| Molecular Weight |
605.902 g/mol |
| SMILES |
c1(n[n](c(c1N=[N+]=[N-])C(c1ccc(cc1)Br)=O)-c1ccc(cc1)Cl)-c1nnc([n]1-c1ccccc1)SCC |
| SPLASH |
splash10-056r-9100020000-f61aa4cd609a01bca74c |
| Source of Spectrum |
Y-53-1165-8f |
| Wiley ID |
1876492 |
