| SpectraBase Compound ID | KKqpDCIR5z1 |
|---|---|
| InChI | InChI=1S/C16H18O/c17-16-12-10-15(11-13-16)9-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,10-13,17H,4-5,8-9H2 |
| InChIKey | ZMYUUXYLTXSODB-UHFFFAOYSA-N |
| Mol Weight | 226.32 g/mol |
| Molecular Formula | C16H18O |
| Exact Mass | 226.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5SaG8CQDU8w |
|---|---|
| Name | 4-(4'-Phenylbutyl)phenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.135765199 u |
| Formula | C16H18O |
| InChI | InChI=1S/C16H18O/c17-16-12-10-15(11-13-16)9-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,10-13,17H,4-5,8-9H2 |
| InChIKey | ZMYUUXYLTXSODB-UHFFFAOYSA-N |
| Molecular Weight | 226.319 g/mol |
| SMILES | c1(ccccc1)CCCCc1ccc(O)cc1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946479 |