![4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-m-cresol], S,S-dioxide, monosodium salt](/api/spectrum/12NibXwJ1qS/structure.png?h=300&w=458 "4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-m-cresol], S,S-dioxide, monosodium salt")
| SpectraBase Compound ID | 4QnM1t4Iy76 |
|---|---|
| InChI | InChI=1S/C21H14Br4O5S.Na/c1-9-12(7-14(22)19(26)17(9)24)21(13-8-15(23)20(27)18(25)10(13)2)11-5-3-4-6-16(11)31(28,29)30-21;/h3-8,26-27H,1-2H3;/q;+1/p-1 |
| InChIKey | HEFSGAHJDGZCHA-UHFFFAOYSA-M |
| Mol Weight | 719.99576928 g/mol |
| Molecular Formula | C21H13Br4NaO5S |
| Exact Mass | 715.711491 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 12NibXwJ1qS |
|---|---|
| Name | 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-m-cresol], S,S-dioxide, monosodium salt |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H13Br4NaO5S |
| InChI | InChI=1S/C21H14Br4O5S.Na/c1-9-12(7-14(22)19(26)17(9)24)21(13-8-15(23)20(27)18(25)10(13)2)11-5-3-4-6-16(11)31(28,29)30-21;/h3-8,26-27H,1-2H3;/q;+1/p-1 |
| InChIKey | HEFSGAHJDGZCHA-UHFFFAOYSA-M |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 27814M |
| Solvent | D2O |