| SpectraBase Compound ID | LqxQ84RWvvm |
|---|---|
| InChI | InChI=1S/C22H30O2/c23-21-18-12-17-20(22(21)24)16-11-6-4-2-1-3-5-8-13-19-14-9-7-10-15-19/h7,9-10,12,14-15,17-18,23-24H,1-6,8,11,13,16H2 |
| InChIKey | MJTAFEYJZHBYII-UHFFFAOYSA-N |
| Mol Weight | 326.48 g/mol |
| Molecular Formula | C22H30O2 |
| Exact Mass | 326.22458 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LW4JMJaY8vj |
|---|---|
| Name | 3-(10-Phenyldecyl )catechol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.224580204 u |
| Formula | C22H30O2 |
| InChI | InChI=1S/C22H30O2/c23-21-18-12-17-20(22(21)24)16-11-6-4-2-1-3-5-8-13-19-14-9-7-10-15-19/h7,9-10,12,14-15,17-18,23-24H,1-6,8,11,13,16H2 |
| InChIKey | MJTAFEYJZHBYII-UHFFFAOYSA-N |
| Molecular Weight | 326.480 g/mol |
| SMILES | C=1(C(O)=CC=CC1CCCCCCCCCCC=1C=CC=CC1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.836191 |