| SpectraBase Compound ID | CXHqZNxtyl |
|---|---|
| InChI | InChI=1S/C14H20O/c1-2-3-11-14(15)12-7-10-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3 |
| InChIKey | YIYCWJWUZUBPLY-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 | 2qC382FuC3Q |
|---|---|
| Name | 1-Phenyl-4-octanone |
| 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/c1-2-3-11-14(15)12-7-10-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3 |
| InChIKey | YIYCWJWUZUBPLY-UHFFFAOYSA-N |
| Molecular Weight | 204.313 g/mol |
| SMILES | C(=O)(CCCC=1C=CC=CC1)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94134 |