| SpectraBase Compound ID | CilSPNWMe4S |
|---|---|
| InChI | InChI=1S/C23H28BrNO4S2/c1-4-5-9-15-13(2)16-12-17(24)20(27)18(21(16)29-22(15)28)19(26)14(3)31-23(30)25-10-7-6-8-11-25/h12,14,27H,4-11H2,1-3H3 |
| InChIKey | UEEQHMXPHJQZOU-UHFFFAOYSA-N |
| Mol Weight | 526.5 g/mol |
| Molecular Formula | C23H28BrNO4S2 |
| Exact Mass | 525.064314 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JROKp8MWEkL |
|---|---|
| Name | 6-bromo-3-butyl-7-hydroxy-8-(2-mercaptopropionyl)-4-methyl-coumarin-8-(1-piperidinecarbodithioate) |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H28BrNO4S2 |
| InChI | InChI=1S/C23H28BrNO4S2/c1-4-5-9-15-13(2)16-12-17(24)20(27)18(21(16)29-22(15)28)19(26)14(3)31-23(30)25-10-7-6-8-11-25/h12,14,27H,4-11H2,1-3H3 |
| InChIKey | UEEQHMXPHJQZOU-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 52686M |
| Solvent | CDCl3 |