| SpectraBase Spectrum ID |
krtZ4aBluZ |
| Name |
Butyrate |
| CAS Registry Number |
105-54-4 |
| Classification |
Fatty esters; Fatty acid ethyl esters |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. 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 |
| Molecular Weight |
116.160 g/mol |
| Number of Peaks |
56 |
| RI2 |
436 |
| RI4 |
831 |
| RI5 |
522 |
| SMILES |
C(CCC)(=O)OCC |
| SPLASH |
splash10-00dr-9000000000-85d555a4c7b8a7635738 |
| Sample Comments |
RI1: measured on Equity-1 (Alkanes)
RI2: measured on Supelcowax-10 (FAMEs)
RI3: measured on Supelcowax-10 (FAEEs)
RI4: measured on SLB-5ms (Alkanes)
RI5: measured on SLB-5ms (FAMEs) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
Butanoic acid, ethyl ester
Et. C4:0 |
| Wiley ID |
LM_LIPIDS2016_96 |
