| SpectraBase Spectrum ID |
GXRbLTNWJZ8 |
| Name |
Isosorbide dinitrate |
| CAS Registry Number |
87-33-2 |
| Classification |
Pharmaceutical drug, coronary vasodilator |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
236.028065218 u |
| Formula |
C6H8N2O8 |
| InChI |
InChI=1S/C6H8N2O8/c9-7(10)15-3-1-13-6-4(16-8(11)12)2-14-5(3)6/h3-6H,1-2H2 |
| InChIKey |
MOYKHGMNXAOIAT-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
236.136 g/mol |
| Nominal Mass |
236 u |
| Quality |
800 |
| Retention Index |
1908 |
| SMILES |
C12C(C(CO2)O[N+](=O)[O-])OCC1O[N+](=O)[O-] |
| SPLASH |
splash10-0670-9100000000-54f79beeb2c30a3b5e7b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1,4:3,6-Dianhydro-D-glucitol-2,5-dinitrate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_013683 |
