| SpectraBase Compound ID | CE5WKRDdA7q |
|---|---|
| InChI | InChI=1S/C21H25NO2S/c1-14-8-7-11-21(2,3)19(14)18-12-17(24)16(13-23)20(25-18)22-15-9-5-4-6-10-15/h4-6,9-10,13,18,22H,7-8,11-12H2,1-3H3 |
| InChIKey | IGNUPNSJDYDSLY-UHFFFAOYSA-N |
| Mol Weight | 355.5 g/mol |
| Molecular Formula | C21H25NO2S |
| Exact Mass | 355.1606 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GpqnnUFSK0X |
|---|---|
| Name | 2H-THIOPYRAN-5-CARBOXALDEHYDE, 3,4-DIHYDRO-4-OXO-6-(PHENYLAMINO)-2-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C21H25NO2S |
| InChI | InChI=1S/C21H25NO2S/c1-14-8-7-11-21(2,3)19(14)18-12-17(24)16(13-23)20(25-18)22-15-9-5-4-6-10-15/h4-6,9-10,13,18,22H,7-8,11-12H2,1-3H3 |
| InChIKey | IGNUPNSJDYDSLY-UHFFFAOYSA-N |
| Instrument Name | BRUKER ARX-300 |
| NMR Standard | TMS |
| Solvent | CDCl3 |