| SpectraBase Compound ID | KB3twlkvVZ9 |
|---|---|
| InChI | InChI=1S/C14H18O2/c15-14-8-4-7-13(9-14)11-16-10-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2 |
| InChIKey | HQYNKMFMUGOJEZ-UHFFFAOYSA-N |
| Mol Weight | 218.3 g/mol |
| Molecular Formula | C14H18O2 |
| Exact Mass | 218.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Kc8X7EYe4Tv |
|---|---|
| Name | 3-(Benzoxymethyl)cyclohexanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.130679818 u |
| Formula | C14H18O2 |
| InChI | InChI=1S/C14H18O2/c15-14-8-4-7-13(9-14)11-16-10-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2 |
| InChIKey | HQYNKMFMUGOJEZ-UHFFFAOYSA-N |
| Molecular Weight | 218.296 g/mol |
| SMILES | C1(=O)CC(COCC=2C=CC=CC2)CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970561 |