| SpectraBase Spectrum ID |
JUw298LfWZ5 |
| Name |
Valerate |
| Source of Sample |
SAFC Cat.no. W246204 |
| CAS Registry Number |
539-82-2 |
| 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/c1-3-5-6-7(8)9-4-2/h3-6H2,1-2H3 |
| InChIKey |
ICMAFTSLXCXHRK-UHFFFAOYSA-N |
| Molecular Weight |
130.187 g/mol |
| Number of Peaks |
50 |
| RI1 |
899 |
| RI2 |
565 |
| RI3 |
644 |
| RI4 |
603 |
| SMILES |
CCCCC(OCC)=O |
| SPLASH |
splash10-000i-9000000000-182a55b5892ddd7e8b55 |
| 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 |
Pentanoic acid, ethyl ester |
| Wiley ID |
LM_FFNSC3_1625 |
