| SpectraBase Compound ID | 34B4JtUtm4S |
|---|---|
| InChI | InChI=1S/C8H6N4O4/c13-4-11-8(14)6-2-1-5(12(15)16)3-7(6)9-10-11/h1-3,13H,4H2 |
| InChIKey | ZWGBJAQDDUCFBZ-UHFFFAOYSA-N |
| Mol Weight | 222.16 g/mol |
| Molecular Formula | C8H6N4O4 |
| Exact Mass | 222.038905 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2jH3Es17bM |
|---|---|
| Name | 3-(hydroxymethyl)-7-nitro-1,2,3-benzotriazin-4(3H)-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H6N4O4 |
| InChI | InChI=1S/C8H6N4O4/c13-4-11-8(14)6-2-1-5(12(15)16)3-7(6)9-10-11/h1-3,13H,4H2 |
| InChIKey | ZWGBJAQDDUCFBZ-UHFFFAOYSA-N |
| Molecular Weight | 222.160 g/mol |
| SMILES | OCN1N=Nc2c(C1=O)ccc(N(=O)=O)c2 |
| SPLASH | splash10-01tc-9400000000-614661b9c75691bf1076 |
| Source of Spectrum | RB-1982-11318-0 |
| Wiley ID | 1221709 |