| SpectraBase Spectrum ID |
6nXkLkyzfBr |
| Name |
Valerate |
| CAS Registry Number |
2050-09-1 |
| 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 |
172.146329882 u |
| Formula |
C10H20O2 |
| InChI |
InChI=1S/C10H20O2/c1-4-5-6-10(11)12-8-7-9(2)3/h9H,4-8H2,1-3H3 |
| InChIKey |
UBLAMKHIFZBBSS-UHFFFAOYSA-N |
| Molecular Weight |
172.268 g/mol |
| Number of Peaks |
50 |
| RI1 |
1151 |
| RI2 |
828 |
| SMILES |
CC(CCOC(CCCC)=O)C |
| SPLASH |
splash10-00dl-9000000000-cf6a0af8c10e5b78d37e |
| 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, 3-methylbutyl ester |
| Wiley ID |
LM_FFNSC3_1670 |
