| SpectraBase Spectrum ID |
H28aS1Kr9p5 |
| Name |
6,8-Dinitro-1,2,3-benzotriazin-4(3H)-one N2-oxide |
| Alternate Name(s) |
6,8-dinitro-1,2,3-benzotriazin-4(3H)-one 2-oxide
6,8-dinitro-2-oxidanidyl-1H-1,2,3-benzotriazin-2-ium-4-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C7H3N5O6 |
| InChI |
InChI=1S/C7H3N5O6/c13-7-4-1-3(10(14)15)2-5(11(16)17)6(4)8-12(18)9-7/h1-2H,(H,8,9,13) |
| InChIKey |
UPCCMRJZNBVSPQ-UHFFFAOYSA-N |
| Molecular Weight |
253.130 g/mol |
| SMILES |
N1C(c2cc(cc(c2N=[N+]1[O-])N(=O)=O)N(=O)=O)=O |
| SPLASH |
splash10-0f89-9070000000-67daa6b4f8db11be960e |
| Source of Spectrum |
SO-0-518-5 |
| Wiley ID |
1540124 |
