| SpectraBase Spectrum ID |
8FHaVBWpXFI |
| Name |
Isobutylnitrite |
| CAS Registry Number |
542-56-3 |
| Classification |
Pharmaceutical drug, vasodilator |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
103.063328532 u |
| Formula |
C4H9NO2 |
| InChI |
InChI=1S/C4H9NO2/c1-4(2)3-7-5-6/h4H,3H2,1-2H3 |
| InChIKey |
APNSGVMLAYLYCT-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
103.121 g/mol |
| Nominal Mass |
103 u |
| Quality |
1000 |
| Retention Index |
761 |
| SMILES |
C(CON=O)(C)C |
| SPLASH |
splash10-0006-9000000000-f37143f7bc78044438ea |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Poppers
2-Methylpropylnitrite |
| Technique |
GC/MS |
| Wiley ID |
DD2024_019623 |
