| SpectraBase Compound ID | DXjCLruJtPr |
|---|---|
| InChI | InChI=1S/C11H14O/c12-11-7-6-9-4-2-1-3-5-10(9)8-11/h6-8,12H,1-5H2 |
| InChIKey | NLTRUPDJDOOHGC-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 | 6q4grYJwPMu |
|---|---|
| Name | 6,7,8,9-Tetrahydro-5H-benzocyclohepten-3-ol |
| 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/c12-11-7-6-9-4-2-1-3-5-10(9)8-11/h6-8,12H,1-5H2 |
| InChIKey | NLTRUPDJDOOHGC-UHFFFAOYSA-N |
| Molecular Weight | 162.232 g/mol |
| SMILES | C1=2C(=CC=C(C2)O)CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957057 |