| SpectraBase Spectrum ID |
9yFCrjlqzhO |
| Name |
3-Amino-7-trifluoromethyl-1,2,4-benzotriazine 1,4-dioxide |
| Alternate Name(s) |
1,4-dioxido-7-(trifluoromethyl)-1,2,4-benzotriazin-3-ylamine
7-(trifluoromethyl)-1,2,4-benzotriazin-3-amine 1,4-dioxide |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H5F3N4O2 |
| InChI |
InChI=1S/C8H5F3N4O2/c9-8(10,11)4-1-2-5-6(3-4)15(17)13-7(12)14(5)16/h1-3H,(H2,12,13) |
| InChIKey |
SUVOILPTBXHTOK-UHFFFAOYSA-N |
| Molecular Weight |
246.149 g/mol |
| SMILES |
Nc1n[n+](c2c([n+]1[O-])ccc(C(F)(F)F)c2)[O-] |
| SPLASH |
splash10-000t-0090000000-4108a54eface23659fd4 |
| Source of Spectrum |
SO-0-856-3 |
| Wiley ID |
874561 |
