| SpectraBase Compound ID | IAR1iMmGBqF |
|---|---|
| InChI | InChI=1S/C22H28BrNO4S2/c1-6-9-10-14-12(4)15-11-16(23)19(26)17(20(15)28-21(14)27)18(25)13(5)30-22(29)24(7-2)8-3/h11,13,26H,6-10H2,1-5H3 |
| InChIKey | RHCQQNNVJNQHKG-UHFFFAOYSA-N |
| Mol Weight | 514.49 g/mol |
| Molecular Formula | C22H28BrNO4S2 |
| Exact Mass | 513.064314 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LIXwxfAyYrf |
|---|---|
| Name | 6-bromo-3-butyl-7-hydroxy-8-(2-mercaptopropionyl)-4-methylcoumarin, 8-(diethyldithiocarbamate) |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H28BrNO4S2 |
| InChI | InChI=1S/C22H28BrNO4S2/c1-6-9-10-14-12(4)15-11-16(23)19(26)17(20(15)28-21(14)27)18(25)13(5)30-22(29)24(7-2)8-3/h11,13,26H,6-10H2,1-5H3 |
| InChIKey | RHCQQNNVJNQHKG-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 52642M |
| Solvent | CDCl3 |