| SpectraBase Spectrum ID |
KR2M9cBwKl9 |
| Name |
Pelargonate |
| CAS Registry Number |
1731-84-6 |
| 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 |
172.146329882 u |
| Formula |
C10H20O2 |
| InChI |
InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3 |
| InChIKey |
IJXHLVMUNBOGRR-UHFFFAOYSA-N |
| Molecular Weight |
172.268 g/mol |
| Number of Peaks |
50 |
| RI1 |
1210 |
| RI2 |
900 |
| RI4 |
1222 |
| RI5 |
900 |
| SMILES |
C(CCCCCCCC)(=O)OC |
| SPLASH |
splash10-00di-9100000000-0d6b72bf8361358e720b |
| 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 |
Nonanoic acid, methyl ester
Me. C9:0 |
| Wiley ID |
LM_LIPIDS2016_91 |
