| SpectraBase Compound ID | KZskigHY3FQ |
|---|---|
| InChI | InChI=1S/C11H14O/c12-11-7-5-9-3-1-2-4-10(9)6-8-11/h1-4,11-12H,5-8H2 |
| InChIKey | RQZVYMMATMNWHG-UHFFFAOYSA-N |
| Mol Weight | 162.23 g/mol |
| Molecular Formula | C11H14O |
| Exact Mass | 162.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9zVnzTYqm4o |
|---|---|
| Name | Benzocycloheptene, 3-hydroxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.104465070 u |
| Formula | C11H14O |
| InChI | InChI=1S/C11H14O/c12-11-7-5-9-3-1-2-4-10(9)6-8-11/h1-4,11-12H,5-8H2 |
| InChIKey | RQZVYMMATMNWHG-UHFFFAOYSA-N |
| Molecular Weight | 162.232 g/mol |
| SMILES | C1=CC=C2C(=C1)CCC(CC2)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961619 |