| SpectraBase Compound ID | EWuSEt7ZYXa |
|---|---|
| InChI | InChI=1S/C10H20O2/c1-2-3-4-7-10-11-8-5-6-9-12-10/h10H,2-9H2,1H3 |
| InChIKey | KLSJQDXRFHVYCW-UHFFFAOYSA-N |
| Mol Weight | 172.27 g/mol |
| Molecular Formula | C10H20O2 |
| Exact Mass | 172.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2YDXrgpEg1y |
|---|---|
| Name | 2-Amyl-1,3-dioxepane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.146329882 u |
| Formula | C10H20O2 |
| InChI | InChI=1S/C10H20O2/c1-2-3-4-7-10-11-8-5-6-9-12-10/h10H,2-9H2,1H3 |
| InChIKey | KLSJQDXRFHVYCW-UHFFFAOYSA-N |
| Molecular Weight | 172.268 g/mol |
| SMILES | C1(OCCCCO1)CCCCC |