| SpectraBase Compound ID | KnxKXCjCLuu |
|---|---|
| InChI | InChI=1S/C21H25NO4/c1-14-6-4-5-7-17(14)21(23)22-11-10-15-12-18(24-2)20(19(13-15)25-3)26-16-8-9-16/h4-7,12-13,16H,8-11H2,1-3H3,(H,22,23) |
| InChIKey | WGWWFKNXWCUDEG-UHFFFAOYSA-N |
| Mol Weight | 355.43 g/mol |
| Molecular Formula | C21H25NO4 |
| Exact Mass | 355.178358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FFzBGweVf3e |
|---|---|
| Name | cp 2-Toluoyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 355.178358285 u |
| Formula | C21H25NO4 |
| InChI | InChI=1S/C21H25NO4/c1-14-6-4-5-7-17(14)21(23)22-11-10-15-12-18(24-2)20(19(13-15)25-3)26-16-8-9-16/h4-7,12-13,16H,8-11H2,1-3H3,(H,22,23) |
| InChIKey | WGWWFKNXWCUDEG-UHFFFAOYSA-N |
| Molecular Weight | 355.434 g/mol |
| SMILES | C=1(C(=CC(=CC1OC)CCNC(C=1C(=CC=CC1)C)=O)OC)OC1CC1 |