| SpectraBase Spectrum ID |
DaAuhWifIJ0 |
| Name |
Caprylate |
| CAS Registry Number |
7367-87-5 |
| Classification |
Fatty esters; Fatty acid methyl esters |
| 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 |
174.125594437 u |
| Formula |
C9H18O3 |
| InChI |
InChI=1S/C9H18O3/c1-3-4-5-6-8(10)7-9(11)12-2/h8,10H,3-7H2,1-2H3 |
| InChIKey |
FHWBTAQRRDZDIY-UHFFFAOYSA-N |
| Molecular Weight |
174.240 g/mol |
| Number of Peaks |
95 |
| RI2 |
1250 |
| RI4 |
1255 |
| RI5 |
934 |
| SMILES |
OC(CC(=O)OC)CCCCC |
| SPLASH |
splash10-0uk9-9500000000-fa1c3613b0349d9101e6 |
| Sample Comments |
RI1: measured on Equity-1 (Alkanes)
RI2: measured on Supelcowax-10 (FAMEs)
RI3: measured on Supelcowax-10 (FAEEs)
RI4: measured on SLB-5ms (Alkanes)
RI5: measured on SLB-5ms (FAMEs) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
Octanoic acid, 3-hydroxy-, methyl ester
Me. 3-OH C8:0 |
| Wiley ID |
LM_LIPIDS2016_62 |
