| SpectraBase Spectrum ID |
IVJWkDdhKoM |
| Name |
Isohexanoate |
| CAS Registry Number |
2412-80-8 |
| 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 |
130.099379689 u |
| Formula |
C7H14O2 |
| InChI |
InChI=1S/C7H14O2/c1-6(2)4-5-7(8)9-3/h6H,4-5H2,1-3H3 |
| InChIKey |
KBCOVKHULBZKNY-UHFFFAOYSA-N |
| Molecular Weight |
130.187 g/mol |
| Number of Peaks |
50 |
| RI2 |
764 |
| RI4 |
889 |
| RI5 |
585 |
| SMILES |
C(CCC(C)C)(=O)OC |
| SPLASH |
splash10-059f-9000000000-7d959fec113bc61b83e3 |
| 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 |
Pentanoic acid, 4-methyl-, methyl ester
Me. C6:0 iso |
| Wiley ID |
LM_LIPIDS2016_149 |
