| SpectraBase Spectrum ID |
ILYBYi0XGUI |
| Name |
Isovalerate <3-phenyl-, propyl-> |
| Source of Sample |
SAFC Cat.no. W289906 |
| CAS Registry Number |
5452-07-3 |
| 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 |
220.146329882 u |
| Formula |
C14H20O2 |
| InChI |
InChI=1S/C14H20O2/c1-12(2)11-14(15)16-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3 |
| InChIKey |
LBNFCOMOXOWXCD-UHFFFAOYSA-N |
| Molecular Weight |
220.312 g/mol |
| Number of Peaks |
50 |
| RI1 |
1612 |
| RI2 |
1290 |
| RI3 |
1504 |
| RI4 |
1311 |
| SMILES |
c1cccc(c1)CCCOC(CC(C)C)=O |
| SPLASH |
splash10-014i-5900000000-7547a10766114eaf5ba1 |
| 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-, 3-phenylpropyl ester |
| Wiley ID |
LM_FFNSC3_281 |
