| SpectraBase Compound ID | 2zaRffGQLgG |
|---|---|
| InChI | InChI=1S/C4H8O3/c1-2-6-4-7-3-5-1/h1-4H2 |
| InChIKey | ULAGGPJVDRGWTI-UHFFFAOYSA-N |
| Mol Weight | 104.1 g/mol |
| Molecular Formula | C4H8O3 |
| Exact Mass | 104.047344 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1GnQ1MiWCNQ |
|---|---|
| Name | 1,3,5-Trioxepane |
| CAS Registry Number | 5981-06-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C4H8O3 |
| InChI | InChI=1S/C4H8O3/c1-2-6-4-7-3-5-1/h1-4H2 |
| InChIKey | ULAGGPJVDRGWTI-UHFFFAOYSA-N |
| Molecular Weight | 104.105 g/mol |
| SMILES | C1OCCOCO1 |
| SPLASH | splash10-006x-9000000000-0d266a4bf9a6c35abd02 |
| Source of Spectrum | DR-66-981-4 |
| Synonyms | 1,3,5-Trioxacycloheptane |
| Wiley ID | 1120945 |