| SpectraBase Compound ID | 5YFYXBq7p5N |
|---|---|
| InChI | InChI=1S/C18H27NO2S/c1-17(2,3)13-9-12(11-20)15(21-16(22)19(7)8)14(10-13)18(4,5)6/h9-11H,1-8H3 |
| InChIKey | VROCXVONSQNSAH-UHFFFAOYSA-N |
| Mol Weight | 321.48 g/mol |
| Molecular Formula | C18H27NO2S |
| Exact Mass | 321.17625 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3TRKmk8mGgb |
|---|---|
| Name | Benzaldehyde, 3,5-di(tert-butyl)-2-(N,N-dimethylthiocarbamoyloxy)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.176250285 u |
| Formula | C18H27NO2S |
| InChI | InChI=1S/C18H27NO2S/c1-17(2,3)13-9-12(11-20)15(21-16(22)19(7)8)14(10-13)18(4,5)6/h9-11H,1-8H3 |
| InChIKey | VROCXVONSQNSAH-UHFFFAOYSA-N |
| Molecular Weight | 321.479 g/mol |
| SMILES | C1(=C(C=C(C=C1C(C)(C)C)C(C)(C)C)C=O)OC(N(C)C)=S |