| SpectraBase Spectrum ID |
JIa34YrADIm |
| Name |
1,3-Dioctanoin |
| CAS Registry Number |
1429-66-9 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
344.256274254 u |
| Formula |
C19H36O5 |
| InChI |
InChI=1S/C19H36O5/c1-3-5-7-9-11-13-18(21)23-15-17(20)16-24-19(22)14-12-10-8-6-4-2/h17,20H,3-16H2,1-2H3 |
| InChIKey |
DMBAVJVECSKEPF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
344.492 g/mol |
| Nominal Mass |
344 u |
| Quality |
997 |
| Retention Index |
2405 |
| SMILES |
OC(COC(CCCCCCC)=O)COC(CCCCCCC)=O |
| SPLASH |
splash10-004i-5910000000-ddbc1051d9cc7e2d364d |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
octanoic acid [2-hydroxy-3-(1-oxodecoxy)propyl] ester |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032465 |
