| SpectraBase Spectrum ID |
JHRSK1VlxJY |
| Name |
1,3,5-Trioxane |
| CAS Registry Number |
110-88-3 |
| Classification |
Cooking fuel |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
90.031694050 u |
| Formula |
C3H6O3 |
| InChI |
InChI=1S/C3H6O3/c1-4-2-6-3-5-1/h1-3H2 |
| InChIKey |
BGJSXRVXTHVRSN-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
90.078 g/mol |
| Nominal Mass |
90 u |
| Quality |
923 |
| Retention Index |
639 |
| SMILES |
C1OCOCO1 |
| SPLASH |
splash10-001i-9000000000-954feaab8c291f2a7e37 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Aldeform
Formaldehyde trimer
1,3,5-Trioxacyclohexane |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009672 |
