| SpectraBase Spectrum ID |
5ew2YKCPMzP |
| Name |
3-Hydroxyhexanoate |
| CAS Registry Number |
21188-58-9 |
| 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 |
146.094294308 u |
| Formula |
C7H14O3 |
| InChI |
InChI=1S/C7H14O3/c1-3-4-6(8)5-7(9)10-2/h6,8H,3-5H2,1-2H3 |
| InChIKey |
ACCRBMDJCPPJDX-UHFFFAOYSA-N |
| Molecular Weight |
146.186 g/mol |
| Number of Peaks |
50 |
| RI2 |
1058 |
| RI4 |
1050 |
| RI5 |
722 |
| SMILES |
OC(CC(=O)OC)CCC |
| SPLASH |
splash10-0fkc-9200000000-80afb6868e04906cb223 |
| 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, 3-hydroxy-, methyl ester
Me. 3-OH C6:1 |
| Wiley ID |
LM_LIPIDS2016_183 |
