| SpectraBase Spectrum ID |
BWqkkvGg2f8 |
| Name |
Isobutyrate |
| CAS Registry Number |
5454-22-8 |
| 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 |
228.208930140 u |
| Formula |
C14H28O2 |
| InChI |
InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-11-12-16-14(15)13(2)3/h13H,4-12H2,1-3H3 |
| InChIKey |
HGOZECVJNYXKMC-UHFFFAOYSA-N |
| Molecular Weight |
228.376 g/mol |
| Number of Peaks |
50 |
| RI1 |
1541 |
| RI2 |
1217 |
| SMILES |
CCCCCCCCCCOC(C(C)C)=O |
| SPLASH |
splash10-059f-9000000000-1a1ad05b07195b2f09ce |
| Sample Comments |
RI1: measured on SLB-5ms (Hydro)
RI2: measured on SLB-5ms (FAMEs)
RI3: measured on Supelcowax-10 (FAMEs)
RI4: measured on Supelcowax-10 (FAEEs)
RI5: measured on Equity-1 (Hydro) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
Propanoic acid, 2-methyl-, decyl ester |
| Wiley ID |
LM_FFNSC3_1359 |
