| SpectraBase Spectrum ID |
2oSTFuVVd8y |
| Name |
1-Nitropropane |
| CAS Registry Number |
108-03-2 |
| Classification |
Designer drug precursor |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
89.047678467 u |
| Formula |
C3H7NO2 |
| InChI |
InChI=1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3 |
| InChIKey |
JSZOAYXJRCEYSX-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
89.094 g/mol |
| Nominal Mass |
89 u |
| Quality |
984 |
| Retention Index |
661 |
| SMILES |
C([N+](=O)[O-])CC |
| SPLASH |
splash10-0006-9000000000-e4aa10a97b05933f88e8 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Propane,1-nitro |
| Technique |
GC/MS |
| Wiley ID |
DD2024_011634 |
