| SpectraBase Spectrum ID |
8GsU9UqXjdY |
| Name |
2-Nitropropane |
| CAS Registry Number |
79-46-9 |
| 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 |
89.047678467 u |
| Formula |
C3H7NO2 |
| InChI |
InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3 |
| InChIKey |
FGLBSLMDCBOPQK-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
89.094 g/mol |
| Nominal Mass |
89 u |
| Quality |
983 |
| Retention Index |
661 |
| SMILES |
C([N+](=O)[O-])(C)C |
| SPLASH |
splash10-0006-9000000000-bdf01971706943921004 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003259 |
