| SpectraBase Spectrum ID |
Dod5NipHgSe |
| Name |
Heptaethylene glycol |
| CAS Registry Number |
5617-32-3 |
| Classification |
Pharmaceutical drug, laxative |
| 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 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
326.194067918 u |
| Formula |
C14H30O8 |
| InChI |
InChI=1S/C14H30O8/c15-1-3-17-5-7-19-9-11-21-13-14-22-12-10-20-8-6-18-4-2-16/h15-16H,1-14H2 |
| InChIKey |
XPJRQAIZZQMSCM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
326.386 g/mol |
| Nominal Mass |
326 u |
| Quality |
997 |
| Retention Index |
2255 |
| SMILES |
OCCOCCOCCOCCOCCOCCOCCO |
| SPLASH |
splash10-000b-9100000000-b83ad0322b315ebac76c |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Heptaethylene glycolate
PEG 330
3,6,9,12,15,18-hexaoxaicosane-1,20-diol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_019147 |
