| SpectraBase Spectrum ID |
Do5guPaday0 |
| Name |
Isobutyl isobutyrate |
| CAS Registry Number |
97-85-8 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (two 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 |
144.115029753 u |
| Formula |
C8H16O2 |
| InChI |
InChI=1S/C8H16O2/c1-6(2)5-10-8(9)7(3)4/h6-7H,5H2,1-4H3 |
| InChIKey |
RXGUIWHIADMCFC-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
144.214 g/mol |
| Nominal Mass |
144 u |
| Quality |
976 |
| Retention Index |
990 |
| SMILES |
C(C(C)C)(OCC(C)C)=O |
| SPLASH |
splash10-0596-9000000000-82ae698a394087162070 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Isobutyric acid isobutyl ester
2-Methylpropyl-2-methylpropanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022160 |
