| SpectraBase Compound ID | ItaqbEJHqcr |
|---|---|
| InChI | InChI=1S/C10H12O2/c11-9-6-5-8-3-1-2-4-10(8)12-7-9/h1-4,9,11H,5-7H2 |
| InChIKey | DEOPESDQXGFICL-UHFFFAOYSA-N |
| Mol Weight | 164.2 g/mol |
| Molecular Formula | C10H12O2 |
| Exact Mass | 164.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | YK0MbRCUpZ |
|---|---|
| Name | 1-Benzoxepin-3-ol, 2,3,4,5-tetrahydro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.083729624 u |
| Formula | C10H12O2 |
| InChI | InChI=1S/C10H12O2/c11-9-6-5-8-3-1-2-4-10(8)12-7-9/h1-4,9,11H,5-7H2 |
| InChIKey | DEOPESDQXGFICL-UHFFFAOYSA-N |
| Molecular Weight | 164.204 g/mol |
| SMILES | C1(O)CCC2=CC=CC=C2OC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96001 |