| SpectraBase Compound ID | Gcd2KCh7YMQ |
|---|---|
| InChI | InChI=1S/C11H12O2/c1-2-6-10(7-3-1)11-12-8-4-5-9-13-11/h1-7,11H,8-9H2 |
| InChIKey | DRRPAFPCDLXMFG-UHFFFAOYSA-N |
| Mol Weight | 176.21 g/mol |
| Molecular Formula | C11H12O2 |
| Exact Mass | 176.08373 g/mol |
Raman Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9JBHGl0S2dv |
|---|---|
| Name | 4,7-Dihydro-2-phenyl-1,3-dioxepin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.083729624 u |
| Formula | C11H12O2 |
| InChI | InChI=1S/C11H12O2/c1-2-6-10(7-3-1)11-12-8-4-5-9-13-11/h1-7,11H,8-9H2 |
| InChIKey | DRRPAFPCDLXMFG-UHFFFAOYSA-N |
| Molecular Weight | 176.215 g/mol |
| SMILES | C=1COC(OCC1)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Raman) | 0.994561 |