| SpectraBase Spectrum ID |
4FMaL8ENgsJ |
| Name |
Hexanoate <3-oxo-, ethyl-> |
| Source of Sample |
SAFC Cat.no. W368318 |
| CAS Registry Number |
3249-68-1 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
158.094294308 u |
| Formula |
C8H14O3 |
| InChI |
InChI=1S/C8H14O3/c1-3-5-7(9)6-8(10)11-4-2/h3-6H2,1-2H3 |
| InChIKey |
KQWWVLVLVYYYDT-UHFFFAOYSA-N |
| Molecular Weight |
158.197 g/mol |
| Number of Peaks |
50 |
| RI1 |
1120 |
| RI2 |
797 |
| RI3 |
1005 |
| RI4 |
961 |
| RI5 |
1102 |
| SMILES |
CCOC(CC(CCC)=O)=O |
| SPLASH |
splash10-006x-9100000000-1ad0c24431142b523f02 |
| 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 |
Hexanoic acid, 3-oxo-, ethyl ester |
| Wiley ID |
LM_FFNSC3_93 |
