| SpectraBase Spectrum ID |
KINhUQIncKw |
| Name |
2-Phenethyl pentanoate |
| CAS Registry Number |
7460-74-4 |
| 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 |
206.130679818 u |
| Formula |
C13H18O2 |
| InChI |
InChI=1S/C13H18O2/c1-3-5-10-13(14)15-12-9-7-6-8-11(12)4-2/h6-9H,3-5,10H2,1-2H3 |
| InChIKey |
DBSQUEILALETJD-UHFFFAOYSA-N |
| Molecular Weight |
206.285 g/mol |
| Number of Peaks |
50 |
| RI1 |
1548 |
| RI2 |
1225 |
| SMILES |
C(CCCC)(=O)Oc1c(CC)cccc1 |
| SPLASH |
splash10-0udi-4900000000-93ce97cfb104f95299ac |
| 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, 2-phenylethyl ester |
| Wiley ID |
LM_FFNSC3_3369 |
