| SpectraBase Compound ID | 8ya7DXEiT5m |
|---|---|
| InChI | InChI=1S/C12H16O/c1-2-6-11(9-10-13)12-7-4-3-5-8-12/h3-5,7-8,10-11H,2,6,9H2,1H3 |
| InChIKey | WNDSXUJVLYIWFN-UHFFFAOYSA-N |
| Mol Weight | 176.26 g/mol |
| Molecular Formula | C12H16O |
| Exact Mass | 176.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FoQ0SDo78lx |
|---|---|
| Name | 3-Phenylhexanal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.120115134 u |
| Formula | C12H16O |
| InChI | InChI=1S/C12H16O/c1-2-6-11(9-10-13)12-7-4-3-5-8-12/h3-5,7-8,10-11H,2,6,9H2,1H3 |
| InChIKey | WNDSXUJVLYIWFN-UHFFFAOYSA-N |
| Molecular Weight | 176.259 g/mol |
| SMILES | C(=O)CC(C=1C=CC=CC1)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.973785 |