| SpectraBase Spectrum ID |
8GXz72O7TgO |
| Name |
Tricyanic acid |
| CAS Registry Number |
108-80-5 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
129.017440966 u |
| Formula |
C3H3N3O3 |
| InChI |
InChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9) |
| InChIKey |
ZFSLODLOARCGLH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
129.075 g/mol |
| Nominal Mass |
129 u |
| Quality |
1000 |
| Retention Index |
1125 |
| SMILES |
OC=1N=C(N=C(N1)O)O |
| SPLASH |
splash10-004l-7900000000-0cb142d63de1658970ed |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1,3,5-Triazine-2,4,6(1H,3H,5H)trione
1,3,5-Triazine-2,4,6-triol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_018171 |
