| SpectraBase Compound ID | GCDaq02AXkc |
|---|---|
| InChI | InChI=1S/C15H19NO4S/c1-15(2)8-10(17)9-6-13(19-14(21)16(3)4)12(18-5)7-11(9)20-15/h6-7H,8H2,1-5H3 |
| InChIKey | FQGBLJOKTMHWPN-UHFFFAOYSA-N |
| Mol Weight | 309.38 g/mol |
| Molecular Formula | C15H19NO4S |
| Exact Mass | 309.103479 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8CZJ6ARjSab |
|---|---|
| Name | 2,2-Dimethyl-7-methoxy-6-(N,N-dimethylthiocarbomoyloxy)-4-chromanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.103479266 u |
| Formula | C15H19NO4S |
| InChI | InChI=1S/C15H19NO4S/c1-15(2)8-10(17)9-6-13(19-14(21)16(3)4)12(18-5)7-11(9)20-15/h6-7H,8H2,1-5H3 |
| InChIKey | FQGBLJOKTMHWPN-UHFFFAOYSA-N |
| Molecular Weight | 309.380 g/mol |
| SMILES | C12=C(OC(CC2=O)(C)C)C=C(C(=C1)OC(=S)N(C)C)OC |