| SpectraBase Compound ID | 7GvLMmziEcd |
|---|---|
| InChI | InChI=1S/C21H18O2/c1-16-12-13-20(23-21(22)18-10-6-3-7-11-18)19(14-16)15-17-8-4-2-5-9-17/h2-14H,15H2,1H3 |
| InChIKey | CEGJXATZLIYDMI-UHFFFAOYSA-N |
| Mol Weight | 302.37 g/mol |
| Molecular Formula | C21H18O2 |
| Exact Mass | 302.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LFDxcFmJ4S6 |
|---|---|
| Name | 2-Benzyl-4-methylphenyl benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.130679818 u |
| Formula | C21H18O2 |
| InChI | InChI=1S/C21H18O2/c1-16-12-13-20(23-21(22)18-10-6-3-7-11-18)19(14-16)15-17-8-4-2-5-9-17/h2-14H,15H2,1H3 |
| InChIKey | CEGJXATZLIYDMI-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC=C1)C(OC1=C(C=C(C=C1)C)CC1=CC=CC=C1)=O |