| SpectraBase Spectrum ID |
JHVrpD4XH3g |
| Name |
Octanoic acid 2-ethylhexyl ester |
| CAS Registry Number |
63321-70-0 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
256.240230268 u |
| Formula |
C16H32O2 |
| InChI |
InChI=1S/C16H32O2/c1-4-7-9-10-11-13-16(17)18-14-15(6-3)12-8-5-2/h15H,4-14H2,1-3H3 |
| InChIKey |
HPUAIVNIHNEYPO-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
256.430 g/mol |
| Nominal Mass |
256 u |
| Quality |
1000 |
| Retention Index |
1791 |
| SMILES |
C(COC(CCCCCCC)=O)(CCCC)CC |
| SPLASH |
splash10-0abc-9300000000-1d7b47f697878763fa7a |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-ethylhexyl octanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_035079 |
