| SpectraBase Compound ID | D55vw883psv |
|---|---|
| InChI | InChI=1S/C16H16O2/c1-12-7-9-14(10-8-12)16(17)18-11-15-6-4-3-5-13(15)2/h3-10H,11H2,1-2H3 |
| InChIKey | GYWIRLVQQSORMK-UHFFFAOYSA-N |
| Mol Weight | 240.3 g/mol |
| Molecular Formula | C16H16O2 |
| Exact Mass | 240.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IOrclYNhAtA |
|---|---|
| Name | 2-Methylbenzyl p-toluate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.115029753 u |
| Formula | C16H16O2 |
| InChI | InChI=1S/C16H16O2/c1-12-7-9-14(10-8-12)16(17)18-11-15-6-4-3-5-13(15)2/h3-10H,11H2,1-2H3 |
| InChIKey | GYWIRLVQQSORMK-UHFFFAOYSA-N |
| Molecular Weight | 240.302 g/mol |
| SMILES | C1=C(COC(C2=CC=C(C)C=C2)=O)C(=CC=C1)C |