| SpectraBase Spectrum ID |
8IPbKJNGz8C |
| Name |
Isosorbide Mononitrate |
| Classification |
Pharmaceutical drug, coronary vasodilator |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
191.042987008 u |
| Formula |
C6H9NO6 |
| InChI |
InChI=1S/C6H9NO6/c8-3-1-11-6-4(13-7(9)10)2-12-5(3)6/h3-6,8H,1-2H2/t3?,4?,5-,6?/m0/s1 |
| InChIKey |
YWXYYJSYQOXTPL-CTQIIAAMSA-N |
| Ionization Type |
Chemical Ionization (CI) |
| Molecular Weight |
191.139 g/mol |
| Nominal Mass |
191 u |
| Reagent Gas |
Methane |
| Retention Index |
1531 |
| SMILES |
OC1[C@]2(C(C(CO2)O[N+](=O)[O-])OC1)[H] |
| SPLASH |
splash10-000j-9600000000-39ad6267f357de913743 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1,4:3,6-Dianhydro-D-glucitol-5-nitrate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001790 |
