![2-(hexadecylsulfonyl)-4-sulfobenzoic acid, 4-[(3-methyl-5-sulfo-2-benzothiazolinylidene)hydrazide]](/api/spectrum/BsHSMMbNxli/structure.png?h=300&w=458 "2-(hexadecylsulfonyl)-4-sulfobenzoic acid, 4-[(3-methyl-5-sulfo-2-benzothiazolinylidene)hydrazide]")
| SpectraBase Compound ID | 96OulClVzQT |
|---|---|
| InChI | InChI=1S/C31H45N3O9S4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-45(37,38)29-23-24(17-19-26(29)30(35)36)46(39,40)33-32-31-34(2)27-22-25(47(41,42)43)18-20-28(27)44-31/h17-20,22-23,33H,3-16,21H2,1-2H3,(H,35,36)(H,41,42,43)/b32-31+ |
| InChIKey | RVMGRGLACPXONI-QNEJGDQOSA-N |
| Mol Weight | 732.0 g/mol |
| Molecular Formula | C31H45N3O9S4 |
| Exact Mass | 731.203865 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BsHSMMbNxli |
|---|---|
| Name | 2-(hexadecylsulfonyl)-4-sulfobenzoic acid, 4-[(3-methyl-5-sulfo-2-benzothiazolinylidene)hydrazide] |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H45N3O9S4 |
| InChI | InChI=1S/C31H45N3O9S4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-45(37,38)29-23-24(17-19-26(29)30(35)36)46(39,40)33-32-31-34(2)27-22-25(47(41,42)43)18-20-28(27)44-31/h17-20,22-23,33H,3-16,21H2,1-2H3,(H,35,36)(H,41,42,43)/b32-31+ |
| InChIKey | RVMGRGLACPXONI-QNEJGDQOSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 45403M |
| Solvent | Polysol-d |