| SpectraBase Spectrum ID |
ZMKVKbUqZV |
| Name |
Isovalerate |
| Source of Sample |
SAFC Cat.no. W281409 |
| CAS Registry Number |
7786-58-5 |
| 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 |
214.193280075 u |
| Formula |
C13H26O2 |
| InChI |
InChI=1S/C13H26O2/c1-4-5-6-7-8-9-10-15-13(14)11-12(2)3/h12H,4-11H2,1-3H3 |
| InChIKey |
FUBGRVHGQADOJI-UHFFFAOYSA-N |
| Molecular Weight |
214.349 g/mol |
| Number of Peaks |
50 |
| RI1 |
1441 |
| RI2 |
1120 |
| RI3 |
1055 |
| RI4 |
1009 |
| SMILES |
CCCCCCCCOC(CC(C)C)=O |
| SPLASH |
splash10-0ka6-9200000000-83fd27c2b10fe48bf620 |
| 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-, octyl ester |
| Wiley ID |
LM_FFNSC3_413 |
