| SpectraBase Compound ID | 3TIoN8cHFYm |
|---|---|
| InChI | InChI=1S/C18H20O2/c1-12-10-13(2)18(20-15(4)19)17(11-12)14(3)16-8-6-5-7-9-16/h5-11,14H,1-4H3 |
| InChIKey | XXIRCZYQALNTAZ-UHFFFAOYSA-N |
| Mol Weight | 268.36 g/mol |
| Molecular Formula | C18H20O2 |
| Exact Mass | 268.14633 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | PE4GEnvHcU |
|---|---|
| Name | 2,4-Dimethyl-6-(1-phenylethyl)phenol, acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.146329882 u |
| Formula | C18H20O2 |
| InChI | InChI=1S/C18H20O2/c1-12-10-13(2)18(20-15(4)19)17(11-12)14(3)16-8-6-5-7-9-16/h5-11,14H,1-4H3 |
| InChIKey | XXIRCZYQALNTAZ-UHFFFAOYSA-N |
| SMILES | C1(OC(C)=O)=C(C=C(C=C1C)C)C(C)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.81055 |