| SpectraBase Compound ID | 6hasIfmtO9H |
|---|---|
| InChI | InChI=1S/C13H18O/c1-2-14-13-10-6-4-8-11-7-3-5-9-12(11)13/h3,5,7,9,13H,2,4,6,8,10H2,1H3 |
| InChIKey | PVNXERWTASPKGN-UHFFFAOYSA-N |
| Mol Weight | 190.29 g/mol |
| Molecular Formula | C13H18O |
| Exact Mass | 190.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8AEjF2g9ou1 |
|---|---|
| Name | 3-Ethoxybenzocycloheptene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.135765199 u |
| Formula | C13H18O |
| InChI | InChI=1S/C13H18O/c1-2-14-13-10-6-4-8-11-7-3-5-9-12(11)13/h3,5,7,9,13H,2,4,6,8,10H2,1H3 |
| InChIKey | PVNXERWTASPKGN-UHFFFAOYSA-N |
| Molecular Weight | 190.286 g/mol |
| SMILES | C1(OCC)C2=C(C=CC=C2)CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.924927 |