| SpectraBase Compound ID | LhDwDNki0O9 |
|---|---|
| InChI | InChI=1S/C14H20O/c1-2-3-4-8-11-14(15)12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3 |
| InChIKey | FGDDRCMEONXJHO-UHFFFAOYSA-N |
| Mol Weight | 204.31 g/mol |
| Molecular Formula | C14H20O |
| Exact Mass | 204.151415 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | L3UMhrlwwPH |
|---|---|
| Name | 2-Octanone, 1-phenyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.151415263 u |
| Formula | C14H20O |
| InChI | InChI=1S/C14H20O/c1-2-3-4-8-11-14(15)12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3 |
| InChIKey | FGDDRCMEONXJHO-UHFFFAOYSA-N |
| Molecular Weight | 204.313 g/mol |
| SMILES | C1(=CC=CC=C1)CC(CCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.915752 |