| SpectraBase Compound ID | 6ghUvGqYhcA |
|---|---|
| InChI | InChI=1S/C14H20O/c1-3-7-13(8-4-1)10-11-14-9-5-2-6-12-15-14/h1,3-4,7-8,14H,2,5-6,9-12H2 |
| InChIKey | WJLAYTYUUBOXDB-UHFFFAOYSA-N |
| Mol Weight | 204.31 g/mol |
| Molecular Formula | C14H20O |
| Exact Mass | 204.151415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K6XB4AquIth |
|---|---|
| Name | 2-(2-Phenylethyl)-2,3,4,5,6,7-hexahydrooxepin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.151415263 u |
| Formula | C14H20O |
| InChI | InChI=1S/C14H20O/c1-3-7-13(8-4-1)10-11-14-9-5-2-6-12-15-14/h1,3-4,7-8,14H,2,5-6,9-12H2 |
| InChIKey | WJLAYTYUUBOXDB-UHFFFAOYSA-N |
| Molecular Weight | 204.313 g/mol |
| SMILES | C1(OCCCCC1)CCC=1C=CC=CC1 |