| SpectraBase Spectrum ID |
4mRsEmeqU4l |
| Name |
Butanoic acid ethyl ester |
| CAS Registry Number |
105-54-4 |
| Classification |
Fragrance |
| Comments |
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/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3 |
| InChIKey |
OBNCKNCVKJNDBV-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
116.160 g/mol |
| Nominal Mass |
116 u |
| Quality |
791 |
| Retention Index |
790 |
| SMILES |
C(OCC)(CCC)=O |
| SPLASH |
splash10-0096-9000000000-a0f95f57fe2aff2c1ee9 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Butyric acid ethyl ester
Ethyl butyrate
Ethyl butanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022256 |
