| SpectraBase Compound ID | HiIIUTJ9NCj |
|---|---|
| InChI | InChI=1S/C12H14O/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12/h1-3,6-8H,4-5,9-10H2 |
| InChIKey | SUTNDJRKUZOCBU-UHFFFAOYSA-N |
| Mol Weight | 174.24 g/mol |
| Molecular Formula | C12H14O |
| Exact Mass | 174.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FDDWiFV4NmY |
|---|---|
| Name | 6-Benzyl-3,4-dihydro-2H-pyran |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.104465070 u |
| Formula | C12H14O |
| InChI | InChI=1S/C12H14O/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12/h1-3,6-8H,4-5,9-10H2 |
| InChIKey | SUTNDJRKUZOCBU-UHFFFAOYSA-N |
| Molecular Weight | 174.243 g/mol |
| SMILES | C=1(OCCCC1)CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.906062 |