| SpectraBase Compound ID | Di6k5y48MsM |
|---|---|
| InChI | InChI=1S/C12H18O/c1-3-10-12(13,4-2)11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3 |
| InChIKey | DGPOGDBVEBWCBK-UHFFFAOYSA-N |
| Mol Weight | 178.27 g/mol |
| Molecular Formula | C12H18O |
| Exact Mass | 178.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EKUI7SaXuuE |
|---|---|
| Name | 3-Phenyl-3-hexanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.135765199 u |
| Formula | C12H18O |
| InChI | InChI=1S/C12H18O/c1-3-10-12(13,4-2)11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3 |
| InChIKey | DGPOGDBVEBWCBK-UHFFFAOYSA-N |
| Molecular Weight | 178.275 g/mol |
| SMILES | C(C=1C=CC=CC1)(O)(CC)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974845 |