| SpectraBase Spectrum ID |
3qIAy93uLfq |
| Name |
4-(3-Amino-4-(hydroxy(5-(trifluoromethyl)-1H-indazol-1-yl)methyl)-1H-pyrazol-5-yl) benzonitrile |
| Appearance |
Pale brown crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H13F3N6O |
| InChI |
InChI=1S/C19H13F3N6O/c20-19(21,22)13-5-6-14-12(7-13)9-25-28(14)18(29)15-16(26-27-17(15)24)11-3-1-10(8-23)2-4-11/h1-7,9,18,29H,(H3,24,26,27) |
| InChIKey |
BRZMFUPZYPJFKQ-UHFFFAOYSA-N |
| Instrument Name |
Varian MAT 311 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2828 |
| Molecular Weight |
398.349 g/mol |
| SMILES |
Nc1c(C(O)[n]2ncc3c2ccc(c3)C(F)(F)F)c([nH]n1)-c1ccc(cc1)C#N |
| SPLASH |
splash10-00kk-4926000000-9d0f23d32fc6d6765e80 |
| Source of Spectrum |
Y-54-2374-10d |
| Wiley ID |
1878454 |
