| SpectraBase Compound ID | CK0jH05d1wW |
|---|---|
| InChI | InChI=1S/C16H17NO4S/c1-8-6-9(2)11(10(3)7-8)13-12(15(18)20-4)14(22-17-13)16(19)21-5/h6-7H,1-5H3 |
| InChIKey | JBPMRZYGJKVZGO-UHFFFAOYSA-N |
| Mol Weight | 319.38 g/mol |
| Molecular Formula | C16H17NO4S |
| Exact Mass | 319.087829 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KjKgJpVhpfI |
|---|---|
| Name | 4,5-Dimethyl 3-(2,4,6-trimethylphenyl)-1,2-thiazole-4,5-dicarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.087829201 u |
| Formula | C16H17NO4S |
| InChI | InChI=1S/C16H17NO4S/c1-8-6-9(2)11(10(3)7-8)13-12(15(18)20-4)14(22-17-13)16(19)21-5/h6-7H,1-5H3 |
| InChIKey | JBPMRZYGJKVZGO-UHFFFAOYSA-N |
| Molecular Weight | 319.375 g/mol |
| SMILES | C1=C(C(=C(C=C1C)C)C1=NSC(=C1C(OC)=O)C(OC)=O)C |