| SpectraBase Spectrum ID |
Dmgamlb4kb2 |
| Name |
Butyl acetate |
| CAS Registry Number |
123-86-4 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
116.083729624 u |
| Formula |
C6H12O2 |
| InChI |
InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3 |
| InChIKey |
DKPFZGUDAPQIHT-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
116.160 g/mol |
| Nominal Mass |
116 u |
| Quality |
1000 |
| Retention Index |
790 |
| SMILES |
C(OCCCC)(=O)C |
| SPLASH |
splash10-0006-9000000000-9c56abcd5c8bc77da867 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Butyl ethanoate
n-Butyl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_008440 |
