| SpectraBase Spectrum ID |
4xIKWmhIDSS |
| Name |
Isovalerate |
| CAS Registry Number |
557-00-6 |
| 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 |
144.115029753 u |
| Formula |
C8H16O2 |
| InChI |
InChI=1S/C8H16O2/c1-4-5-10-8(9)6-7(2)3/h7H,4-6H2,1-3H3 |
| InChIKey |
LSJMDWFAADPNAX-UHFFFAOYSA-N |
| Molecular Weight |
144.214 g/mol |
| Number of Peaks |
50 |
| RI1 |
946 |
| RI2 |
622 |
| RI3 |
1349 |
| RI4 |
1309 |
| SMILES |
CC(CC(=O)OCCC)C |
| SPLASH |
splash10-0gvx-9100000000-c1140b0d746138b21e9b |
| 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-, propyl ester |
| Wiley ID |
LM_FFNSC3_1852 |
