| SpectraBase Compound ID | 4nj3g164v4e |
|---|---|
| InChI | InChI=1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3 |
| InChIKey | JSZOAYXJRCEYSX-UHFFFAOYSA-N |
| Mol Weight | 89.09 g/mol |
| Molecular Formula | C3H7NO2 |
| Exact Mass | 89.047678 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Dnmo5iTEXYW |
|---|---|
| Name | 1-Nitropropane |
| CAS Registry Number | 108-03-2 |
| Classification | Designer drug precursor |
| 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 | Chemical Ionization (CI) |
| Molecular Weight | 89.094 g/mol |
| Nominal Mass | 89 u |
| Reagent Gas | Methane |
| Retention Index | 661 |
| SMILES | C([N+](=O)[O-])CC |
| SPLASH | splash10-0006-9000000000-cc39afcaa7ef61725bd6 |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | Propane,1-nitro |
| Technique | GC/MS |
| Wiley ID | DD2024_003257 |