| SpectraBase Compound ID | 5mCzndwE0Gx |
|---|---|
| InChI | InChI=1S/C18H18BrNO4S2/c1-10-11-5-6-12(21)14(16(11)24-17(23)15(10)19)13(22)9-26-18(25)20-7-3-2-4-8-20/h5-6,21H,2-4,7-9H2,1H3 |
| InChIKey | UWQJWQCIPCPBPC-UHFFFAOYSA-N |
| Mol Weight | 456.37 g/mol |
| Molecular Formula | C18H18BrNO4S2 |
| Exact Mass | 454.986063 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7RbuXLzzGF4 |
|---|---|
| Name | 3-bromo-7-hydroxy-8-(mercaptoacetyl)-4-methylcoumarin, 8-(1-piperidinecarbodithioate) |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H18BrNO4S2 |
| InChI | InChI=1S/C18H18BrNO4S2/c1-10-11-5-6-12(21)14(16(11)24-17(23)15(10)19)13(22)9-26-18(25)20-7-3-2-4-8-20/h5-6,21H,2-4,7-9H2,1H3 |
| InChIKey | UWQJWQCIPCPBPC-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 52767M |
| Solvent | CDCl3 |