| SpectraBase Compound ID | JyBgZnnOBfb |
|---|---|
| InChI | InChI=1S/C12H16O/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-11H,1-2,4,7-8H2 |
| InChIKey | WDKODCDQZXMWJD-UHFFFAOYSA-N |
| Mol Weight | 176.26 g/mol |
| Molecular Formula | C12H16O |
| Exact Mass | 176.120115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jus9QLO163w |
|---|---|
| Name | 6-Phenylhexanal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.120115134 u |
| Formula | C12H16O |
| InChI | InChI=1S/C12H16O/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-11H,1-2,4,7-8H2 |
| InChIKey | WDKODCDQZXMWJD-UHFFFAOYSA-N |
| Molecular Weight | 176.259 g/mol |
| Nominal Mass | 176 u |
| SMILES | C(CCCCCC=1C=CC=CC1)=O |