| SpectraBase Spectrum ID |
5Z1kpSXBLZw |
| Name |
Isobutyl hexanoate |
| CAS Registry Number |
105-79-3 |
| 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 |
172.146329882 u |
| Formula |
C10H20O2 |
| InChI |
InChI=1S/C10H20O2/c1-4-5-6-7-10(11)12-8-9(2)3/h9H,4-8H2,1-3H3 |
| InChIKey |
UXUPPWPIGVTVQI-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
172.268 g/mol |
| Nominal Mass |
172 u |
| Quality |
997 |
| Retention Index |
1142 |
| SMILES |
C(OCC(C)C)(CCCCC)=O |
| SPLASH |
splash10-0a4m-9100000000-999d469e04d2b90d4cd4 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-Methylpropyl hexanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022456 |
