| SpectraBase Spectrum ID |
2ozIuvu7ZU8 |
| Name |
Acetic acid iso-butyl ester |
| CAS Registry Number |
110-19-0 |
| 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 |
116.083729624 u |
| Formula |
C6H12O2 |
| InChI |
InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3 |
| InChIKey |
GJRQTCIYDGXPES-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
116.160 g/mol |
| Nominal Mass |
116 u |
| Quality |
988 |
| Retention Index |
790 |
| SMILES |
C(OCC(C)C)(=O)C |
| SPLASH |
splash10-0006-9000000000-7b83cb0a8fa83a3037a3 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-methylpropyl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005674 |
