| SpectraBase Compound ID | 2OFiM2bCwda |
|---|---|
| InChI | InChI=1S/C18H20O2/c1-18(2,3)17(19)20-16-12-8-7-11-15(16)13-14-9-5-4-6-10-14/h4-12H,13H2,1-3H3 |
| InChIKey | BJYPVPQVBCTIQV-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 | 16tXjl5BEbG |
|---|---|
| Name | 2-(Phenylmethyl)phenol, trimethylacetate |
| 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/c1-18(2,3)17(19)20-16-12-8-7-11-15(16)13-14-9-5-4-6-10-14/h4-12H,13H2,1-3H3 |
| InChIKey | BJYPVPQVBCTIQV-UHFFFAOYSA-N |
| SMILES | C1(OC(C(C)(C)C)=O)=C(C=CC=C1)CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.814581 |