| SpectraBase Spectrum ID |
5XnnKe6B3Ue |
| Name |
Styphnic acid |
| CAS Registry Number |
82-71-3 |
| Classification |
Explosive |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
244.992014061 u |
| Formula |
C6H3N3O8 |
| InChI |
InChI=1S/C6H3N3O8/c10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17/h1,10-11H |
| InChIKey |
IXHMHWIBCIYOAZ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
245.103 g/mol |
| Nominal Mass |
245 u |
| Quality |
966 |
| Retention Index |
2308 |
| SMILES |
OC=1C(=C(C(=CC1[N+](=O)[O-])[N+](=O)[O-])O)[N+](=O)[O-] |
| SPLASH |
splash10-000t-9020000000-fd4a6121d31f44114567 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Trinitroresorcinol
2,4,6-Trinitroresorcinol
2,4,6-trinitrobenzene-1,3-diol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_010303 |
