| SpectraBase Spectrum ID |
8HGp6Z3vzl0 |
| Name |
Isopentanoate |
| Source of Sample |
SAFC Cat.no. W275301 |
| CAS Registry Number |
556-24-1 |
| 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/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3 |
| InChIKey |
OQAGVSWESNCJJT-UHFFFAOYSA-N |
| Molecular Weight |
116.160 g/mol |
| Number of Peaks |
50 |
| RI1 |
773 |
| RI2 |
437 |
| RI3 |
422 |
| RI4 |
384 |
| SMILES |
C(CC(C)C)(=O)OC |
| SPLASH |
splash10-05fu-9000000000-0ea0e81b92ed4133bc5a |
| 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 |
Butanoic acid, 3-methyl-, methyl ester |
| Wiley ID |
LM_FFNSC3_747 |
