| SpectraBase Spectrum ID |
HXJsv0qu28W |
| Name |
Isobutyrate |
| CAS Registry Number |
547-63-7 |
| Classification |
Fatty esters; Fatty acid methyl 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 |
102.068079560 u |
| Formula |
C5H10O2 |
| InChI |
InChI=1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3 |
| InChIKey |
BHIWKHZACMWKOJ-UHFFFAOYSA-N |
| Molecular Weight |
102.133 g/mol |
| Number of Peaks |
40 |
| RI2 |
541 |
| RI4 |
789 |
| RI5 |
486 |
| SMILES |
C(C(C)C)(=O)OC |
| SPLASH |
splash10-0006-9000000000-ee2487d870c48e51e12e |
| 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 |
Propanoic acid, 2-methyl-, methyl ester
Me. C4:0 iso |
| Wiley ID |
LM_LIPIDS2016_144 |
