![Benzo[D][1]benzoxepin](/api/spectrum/47Vboo0z0o2/structure.png?h=300&w=458 "Benzo[D][1]benzoxepin")
| SpectraBase Compound ID | G5neKsFMPfl |
|---|---|
| InChI | InChI=1S/C14H10O/c1-2-6-12-11(5-1)9-10-15-14-8-4-3-7-13(12)14/h1-10H |
| InChIKey | ZGNHLWKYNFSKCD-UHFFFAOYSA-N |
| Mol Weight | 194.23 g/mol |
| Molecular Formula | C14H10O |
| Exact Mass | 194.073165 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 47Vboo0z0o2 |
|---|---|
| Name | Benzo[D][1]benzoxepin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.073164941 u |
| Formula | C14H10O |
| InChI | InChI=1S/C14H10O/c1-2-6-12-11(5-1)9-10-15-14-8-4-3-7-13(12)14/h1-10H |
| InChIKey | ZGNHLWKYNFSKCD-UHFFFAOYSA-N |
| Molecular Weight | 194.233 g/mol |
| SMILES | C=12C=3C(C=COC2=CC=CC1)=CC=CC3 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941514 |