| SpectraBase Compound ID | D7BBKAxVD3 |
|---|---|
| InChI | InChI=1S/C15H22O/c1-3-5-12-14(15(16)9-4-2)13-10-7-6-8-11-13/h6-8,10-11,14H,3-5,9,12H2,1-2H3 |
| InChIKey | MNWZDUFBCFPSDQ-UHFFFAOYSA-N |
| Mol Weight | 218.34 g/mol |
| Molecular Formula | C15H22O |
| Exact Mass | 218.167065 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | DWCtLDbrN6S |
|---|---|
| Name | 5-Phenyl-4-nonanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.167065327 u |
| Formula | C15H22O |
| InChI | InChI=1S/C15H22O/c1-3-5-12-14(15(16)9-4-2)13-10-7-6-8-11-13/h6-8,10-11,14H,3-5,9,12H2,1-2H3 |
| InChIKey | MNWZDUFBCFPSDQ-UHFFFAOYSA-N |
| Molecular Weight | 218.340 g/mol |
| SMILES | C=1C(=CC=CC1)C(C(CCC)=O)CCCC |
| Spectrum/Structure Validation Score (Raman) | 0.928171 |