| SpectraBase Compound ID | 1XERVPuwjwZ |
|---|---|
| InChI | InChI=1S/C14H20O2/c1-2-3-4-5-6-10-13(15)12-9-7-8-11-14(12)16/h7-9,11,16H,2-6,10H2,1H3 |
| InChIKey | PGCCZWYHMDVUBU-UHFFFAOYSA-N |
| Mol Weight | 220.31 g/mol |
| Molecular Formula | C14H20O2 |
| Exact Mass | 220.14633 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KflchahTKnx |
|---|---|
| Name | 1-(2-Hydroxyphenyl)-1-octanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.146329882 u |
| Formula | C14H20O2 |
| InChI | InChI=1S/C14H20O2/c1-2-3-4-5-6-10-13(15)12-9-7-8-11-14(12)16/h7-9,11,16H,2-6,10H2,1H3 |
| InChIKey | PGCCZWYHMDVUBU-UHFFFAOYSA-N |
| Molecular Weight | 220.312 g/mol |
| SMILES | C(CCCCCCC)(=O)C=1C(=CC=CC1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.86516 |