| SpectraBase Spectrum ID |
83coO1S2Vcw |
| Name |
Isobutyrate |
| Source of Sample |
SAFC Cat.no. W280801 |
| CAS Registry Number |
109-15-9 |
| 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 |
200.177630011 u |
| Formula |
C12H24O2 |
| InChI |
InChI=1S/C12H24O2/c1-4-5-6-7-8-9-10-14-12(13)11(2)3/h11H,4-10H2,1-3H3 |
| InChIKey |
PQCYCHFQWMNQRJ-UHFFFAOYSA-N |
| Molecular Weight |
200.322 g/mol |
| Number of Peaks |
50 |
| RI1 |
1346 |
| RI2 |
1024 |
| RI3 |
949 |
| RI4 |
906 |
| SMILES |
CCCCCCCCOC(C(C)C)=O |
| SPLASH |
splash10-059f-9000000000-9cef73108af2bc755c14 |
| 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-, octyl ester |
| Wiley ID |
LM_FFNSC3_283 |
