| SpectraBase Compound ID | 5bpnNFiBLOj |
|---|---|
| InChI | InChI=1S/C17H16BrNO5S2/c1-9-10-2-3-11(20)13(15(10)24-16(22)14(9)18)12(21)8-26-17(25)19-4-6-23-7-5-19/h2-3,20H,4-8H2,1H3 |
| InChIKey | MAYRDCOIXCNJKD-UHFFFAOYSA-N |
| Mol Weight | 458.34 g/mol |
| Molecular Formula | C17H16BrNO5S2 |
| Exact Mass | 456.965328 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KSIAXsjyFdZ |
|---|---|
| Name | 3-bromo-7-hydroxy-8-(mercaptoacetyl)-4-methylcoumarin, 8-(4-morpholinecarbodithioate) |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H16BrNO5S2 |
| InChI | InChI=1S/C17H16BrNO5S2/c1-9-10-2-3-11(20)13(15(10)24-16(22)14(9)18)12(21)8-26-17(25)19-4-6-23-7-5-19/h2-3,20H,4-8H2,1H3 |
| InChIKey | MAYRDCOIXCNJKD-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 52768M |
| Solvent | Polysol |