| SpectraBase Compound ID | F44zx42ff3t |
|---|---|
| InChI | InChI=1S/C27H36O/c28-27(24-17-9-3-10-18-24,25-19-11-4-12-20-25)21-26(22-13-5-1-6-14-22)23-15-7-2-8-16-23/h1,3,5-6,9-10,13-14,17-18,23,25-26,28H,2,4,7-8,11-12,15-16,19-21H2 |
| InChIKey | ZOGKWLSZFDFSMF-UHFFFAOYSA-N |
| Mol Weight | 376.6 g/mol |
| Molecular Formula | C27H36O |
| Exact Mass | 376.276616 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FJA22UO13cL |
|---|---|
| Name | 1,3-Dicyclohexyl-1,3-diphenylpropanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.276615778 u |
| Formula | C27H36O |
| InChI | InChI=1S/C27H36O/c28-27(24-17-9-3-10-18-24,25-19-11-4-12-20-25)21-26(22-13-5-1-6-14-22)23-15-7-2-8-16-23/h1,3,5-6,9-10,13-14,17-18,23,25-26,28H,2,4,7-8,11-12,15-16,19-21H2 |
| InChIKey | ZOGKWLSZFDFSMF-UHFFFAOYSA-N |
| Molecular Weight | 376.584 g/mol |
| SMILES | C(CC(C=1C=CC=CC1)C1CCCCC1)(C1=CC=CC=C1)(C1CCCCC1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.855307 |