| SpectraBase Compound ID | CrcPUbDFTd2 |
|---|---|
| InChI | InChI=1S/C16H16BrNO4S2/c1-7-9-5-6-10(19)11(14(9)22-15(21)12(7)17)13(20)8(2)24-16(23)18(3)4/h5-6,8,19H,1-4H3 |
| InChIKey | VXKCRAHXJOYEAF-UHFFFAOYSA-N |
| Mol Weight | 430.33 g/mol |
| Molecular Formula | C16H16BrNO4S2 |
| Exact Mass | 428.970413 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AX4cakuCCwO |
|---|---|
| Name | 3-bromo-7-hydroxy-8-(2-mercaptopropionyl)-4-methylcoumarin, 8-(dimethyldithiocarbamate) |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H16BrNO4S2 |
| InChI | InChI=1S/C16H16BrNO4S2/c1-7-9-5-6-10(19)11(14(9)22-15(21)12(7)17)13(20)8(2)24-16(23)18(3)4/h5-6,8,19H,1-4H3 |
| InChIKey | VXKCRAHXJOYEAF-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 47314M |
| Solvent | DMSO-d6 |