| SpectraBase Compound ID | EfAigiz4ZGx |
|---|---|
| InChI | InChI=1S/C14H14O/c1-15-14-10-8-13(9-11-14)12-6-4-2-3-5-7-12/h2-12H,1H3 |
| InChIKey | SBKMMFNDOVHOOG-UHFFFAOYSA-N |
| Mol Weight | 198.26 g/mol |
| Molecular Formula | C14H14O |
| Exact Mass | 198.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2PcEMiYZw2b |
|---|---|
| Name | 7-(4-Methoxy-phenyl)-cyclohepta-1,3,5-triene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.104465070 u |
| Formula | C14H14O |
| InChI | InChI=1S/C14H14O/c1-15-14-10-8-13(9-11-14)12-6-4-2-3-5-7-12/h2-12H,1H3 |
| InChIKey | SBKMMFNDOVHOOG-UHFFFAOYSA-N |
| Molecular Weight | 198.265 g/mol |
| SMILES | C1=CC(C=CC=C1)C1=CC=C(C=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.920317 |