| SpectraBase Compound ID | FTNFW9r5BlC |
|---|---|
| InChI | InChI=1S/C14H18O2/c1-3-4-5-6-14(16)13-9-7-12(8-10-13)11(2)15/h7-10H,3-6H2,1-2H3 |
| InChIKey | SBJWEJUSRUFNAM-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 | 7gkf5vf18z5 |
|---|---|
| Name | 1-(4-Acetylphenyl)hexan-1-one |
| 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/c1-3-4-5-6-14(16)13-9-7-12(8-10-13)11(2)15/h7-10H,3-6H2,1-2H3 |
| InChIKey | SBJWEJUSRUFNAM-UHFFFAOYSA-N |
| Molecular Weight | 218.296 g/mol |
| SMILES | C(CCCCC)(=O)C=1C=CC(=CC1)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952756 |