| SpectraBase Spectrum ID |
4BrA3HE3kj2 |
| Name |
Hexanoate |
| Source of Sample |
SAFC Cat.no. W243906 |
| CAS Registry Number |
123-66-0 |
| 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 |
| RI1 |
1003 |
| RI2 |
673 |
| RI3 |
637 |
| RI4 |
600 |
| SMILES |
C(CCCCC)(=O)OCC |
| SPLASH |
splash10-01w3-9000000000-960dfdade5703986446e |
| 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, ethyl ester |
| Wiley ID |
LM_FFNSC3_1150 |
