| SpectraBase Spectrum ID |
Dl9fTXNpa40 |
| Name |
Ethyl hexanoate |
| CAS Registry Number |
123-66-0 |
| Classification |
Chemical |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. 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 |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
144.214 g/mol |
| Nominal Mass |
144 u |
| Quality |
970 |
| Retention Index |
990 |
| SMILES |
C(CCCCC)(OCC)=O |
| SPLASH |
splash10-007c-9100000000-8ff4c8d8f9f78cf1284a |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006545 |
