| SpectraBase Spectrum ID |
77KAN2fVXcv |
| Name |
Caproate |
| CAS Registry Number |
123-66-0 |
| Classification |
Fatty esters; Fatty acid ethyl 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 |
144.115029753 u |
| Formula |
C8H16O2 |
| InChI |
InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3 |
| InChIKey |
SHZIWNPUGXLXDT-UHFFFAOYSA-N |
| Molecular Weight |
144.214 g/mol |
| Number of Peaks |
50 |
| RI2 |
642 |
| RI4 |
997 |
| RI5 |
667 |
| SMILES |
C(CCCCC)(=O)OCC |
| SPLASH |
splash10-01w4-9000000000-a08d412b17025083eefa |
| 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 |
Hexanoic acid, ethyl ester
Et. C6:0 |
| Wiley ID |
LM_LIPIDS2016_97 |
