| SpectraBase Spectrum ID |
DSkyESQfYmG |
| Name |
Pentyl octanoate |
| CAS Registry Number |
638-25-5 |
| 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/c1-3-5-7-8-9-11-13(14)15-12-10-6-4-2/h3-12H2,1-2H3 |
| InChIKey |
GJWGZSBNFSBUPX-UHFFFAOYSA-N |
| Molecular Weight |
214.349 g/mol |
| Number of Peaks |
50 |
| RI1 |
1486 |
| RI2 |
1164 |
| RI3 |
1119 |
| RI4 |
1077 |
| RI5 |
1473 |
| SMILES |
C(CCCCCCC)(=O)OCCCCC |
| SPLASH |
splash10-05fu-9300000000-ef821269dfc231fb258e |
| 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 |
Octanoic acid, pentyl ester |
| Wiley ID |
LM_FFNSC3_3085 |
