| SpectraBase Spectrum ID |
5VwfASPwvWS |
| Name |
Dioxane |
| CAS Registry Number |
123-91-1 |
| Classification |
Solvent |
| Comments |
Spectrum verified by crosschecking against external libraries (two 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 |
88.052429496 u |
| Formula |
C4H8O2 |
| InChI |
InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2 |
| InChIKey |
RYHBNJHYFVUHQT-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
88.106 g/mol |
| Nominal Mass |
88 u |
| Quality |
964 |
| Retention Index |
631 |
| SMILES |
C1OCCOC1 |
| SPLASH |
splash10-0a4r-9000000000-9e1ee9a9f1f62e78867b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Diethylene ether
p-Dioxane
1,4-dioxane |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032548 |
