| SpectraBase Compound ID | 44TtA0SxTOS |
|---|---|
| InChI | InChI=1S/C18H20O2/c1-4-17(19)20-16-12-10-15(11-13-16)18(2,3)14-8-6-5-7-9-14/h5-13H,4H2,1-3H3 |
| InChIKey | IFSHVROJHBGLRL-UHFFFAOYSA-N |
| Mol Weight | 268.36 g/mol |
| Molecular Formula | C18H20O2 |
| Exact Mass | 268.14633 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | A7RJnZG7uVj |
|---|---|
| Name | Phenol, 4-(1-methyl-1-phenylethyl)-, propanoate |
| 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/c1-4-17(19)20-16-12-10-15(11-13-16)18(2,3)14-8-6-5-7-9-14/h5-13H,4H2,1-3H3 |
| InChIKey | IFSHVROJHBGLRL-UHFFFAOYSA-N |
| SMILES | C1(=CC=CC=C1)C(C1=CC=C(C=C1)OC(CC)=O)(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.994534 |