| SpectraBase Spectrum ID |
2n5TKLnyvXE |
| Name |
Butyl isobutyrate |
| CAS Registry Number |
97-87-0 |
| 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 |
144.115029753 u |
| Formula |
C8H16O2 |
| InChI |
InChI=1S/C8H16O2/c1-4-5-6-10-8(9)7(2)3/h7H,4-6H2,1-3H3 |
| InChIKey |
JSLCOZYBKYHZNL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
144.214 g/mol |
| Nominal Mass |
144 u |
| Quality |
1000 |
| Retention Index |
990 |
| SMILES |
C(C(C)C)(OCCCC)=O |
| SPLASH |
splash10-0596-9000000000-e4e39ce8b2473b9bb58f |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-Methylpropanoic acid butyl ester
Butyl-2-methylpropanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022159 |
