| SpectraBase Spectrum ID |
JKn64G0VYVR |
| Name |
1-(4'-Methoxyphenacyl)-4-phenyl-1,2,4-triazol-1-ium bromide |
| Alternate Name(s) |
1-[2-(4-methoxyphenyl)-2-oxoethyl]-4-phenyl-4H-1,2,4-triazol-1-ium bromide |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H16BrN3O2 |
| InChI |
InChI=1S/C17H16N3O2.BrH/c1-22-16-9-7-14(8-10-16)17(21)11-20-13-19(12-18-20)15-5-3-2-4-6-15;/h2-10,12-13H,11H2,1H3;1H/q+1;/p-1 |
| InChIKey |
OYXGJZZSNFQEKZ-UHFFFAOYSA-M |
| Molecular Weight |
374.238 g/mol |
| SMILES |
[Br-].c1n[n+](c[n]1-c1ccccc1)CC(c1ccc(OC)cc1)=O |
| SPLASH |
splash10-0002-0090000000-e5f2f376765f4a8c955b |
| Source of Spectrum |
H1-51-2216-3 |
| Wiley ID |
817245 |
