| SpectraBase Spectrum ID |
F5bS7JLrqNH |
| Name |
6-Cyano-1,2,3-benzotriazin-4(3H)-one N2-oxide |
| Alternate Name(s) |
4-oxo-3,4-dihydro-1,2,3-benzotriazine-6-carbonitrile 2-oxide
2-oxido-4-oxo-1H-1,2,3-benzotriazin-2-ium-6-carbonitrile
2-oxidanidyl-4-oxidanylidene-1H-1,2,3-benzotriazin-2-ium-6-carbonitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H4N4O2 |
| InChI |
InChI=1S/C8H4N4O2/c9-4-5-1-2-7-6(3-5)8(13)11-12(14)10-7/h1-3H,(H,10,11,13) |
| InChIKey |
XZZYBHUCOLSZSG-UHFFFAOYSA-N |
| Molecular Weight |
188.146 g/mol |
| SMILES |
N1C(c2c(N=[N+]1[O-])ccc(c2)C#N)=O |
| SPLASH |
splash10-000i-6900000000-05a443f8275eabae8396 |
| Source of Spectrum |
SO-0-518-5 |
| Wiley ID |
1540123 |
