| SpectraBase Spectrum ID |
8HTRpgUzc5w |
| Name |
Isopropyl-iso butyrate |
| CAS Registry Number |
617-50-5 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
130.099379689 u |
| Formula |
C7H14O2 |
| InChI |
InChI=1S/C7H14O2/c1-5(2)7(8)9-6(3)4/h5-6H,1-4H3 |
| InChIKey |
WVRPFQGZHKZCEB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
130.187 g/mol |
| Nominal Mass |
130 u |
| Quality |
1000 |
| Retention Index |
890 |
| SMILES |
C(C(C)C)(OC(C)C)=O |
| SPLASH |
splash10-0006-9000000000-dd66551cb8ef0217426d |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Isobutyric acid isopropyl ester
Isopropyl-2-methylpropanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022156 |
