![3-[(E)-prop-1-enyl]-1,5,5a,6,7,8,9,9a-octahydrobenzo[e][1,3]dioxepin](/api/spectrum/GQPpaCpPsc5/structure.png?h=300&w=458 "3-[(E)-prop-1-enyl]-1,5,5a,6,7,8,9,9a-octahydrobenzo[e][1,3]dioxepin")
| SpectraBase Compound ID | 5srPkLtN5GC |
|---|---|
| InChI | InChI=1S/C12H20O2/c1-2-5-12-13-8-10-6-3-4-7-11(10)9-14-12/h2,5,10-12H,3-4,6-9H2,1H3/b5-2+ |
| InChIKey | PWUPQWQQMRUTGZ-GORDUTHDSA-N |
| Mol Weight | 196.29 g/mol |
| Molecular Formula | C12H20O2 |
| Exact Mass | 196.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GQPpaCpPsc5 |
|---|---|
| Name | 3-[(E)-Prop-1-enyl]-1,5,5A,6,7,8,9,9A-octahydrobenzo[E][1,3]dioxepin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.146329882 u |
| Formula | C12H20O2 |
| InChI | InChI=1S/C12H20O2/c1-2-5-12-13-8-10-6-3-4-7-11(10)9-14-12/h2,5,10-12H,3-4,6-9H2,1H3/b5-2+ |
| InChIKey | PWUPQWQQMRUTGZ-GORDUTHDSA-N |
| Molecular Weight | 196.290 g/mol |
| SMILES | C1(OCC2C(CO1)CCCC2)\C=C\C |