| SpectraBase Compound ID | EkQbYKVQV5A |
|---|---|
| InChI | InChI=1S/C27H28Br2O5S/c1-13(2)17-11-20(15(5)23(28)25(17)30)27(19-9-7-8-10-22(19)35(32,33)34-27)21-12-18(14(3)4)26(31)24(29)16(21)6/h7-14,30-31H,1-6H3 |
| InChIKey | NUHCTOLBWMJMLX-UHFFFAOYSA-N |
| Mol Weight | 624.38 g/mol |
| Molecular Formula | C27H28Br2O5S |
| Exact Mass | 622.002421 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DYANnxFaPEg |
|---|---|
| Name | 6,6'-(3H-2,1-benzoxathiol-3-ylidene)bis[2-bromothymol], S,S-dioxide |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H28Br2O5S |
| InChI | InChI=1S/C27H28Br2O5S/c1-13(2)17-11-20(15(5)23(28)25(17)30)27(19-9-7-8-10-22(19)35(32,33)34-27)21-12-18(14(3)4)26(31)24(29)16(21)6/h7-14,30-31H,1-6H3 |
| InChIKey | NUHCTOLBWMJMLX-UHFFFAOYSA-N |
| Instrument Name | Varian A-60D |
| Sadtler NMR Number | 17221M |
| Solvent | Trifluoroacetic acid |