| SpectraBase Spectrum ID |
5X6Psykfl0i |
| Name |
Isopropyl butyrate |
| CAS Registry Number |
638-11-9 |
| 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 |
130.099379689 u |
| Formula |
C7H14O2 |
| InChI |
InChI=1S/C7H14O2/c1-4-5-7(8)9-6(2)3/h6H,4-5H2,1-3H3 |
| InChIKey |
FFOPEPMHKILNIT-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
130.187 g/mol |
| Nominal Mass |
130 u |
| Quality |
816 |
| Retention Index |
890 |
| SMILES |
C(OC(C)C)(CCC)=O |
| SPLASH |
splash10-0006-9000000000-7d5b0a1693f39b780e9b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Butyric acid isopropyl ester
Isopropyl butanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022260 |
