![4-(hexadecyloxy)-3-sulfobenzoic acid, 3-[(3-methyl-2-benzothiazolinylidene)hydrazide]](/api/spectrum/Gd1bRflJkDF/structure.png?h=300&w=458 "4-(hexadecyloxy)-3-sulfobenzoic acid, 3-[(3-methyl-2-benzothiazolinylidene)hydrazide]")
| SpectraBase Compound ID | 9H3vDgKmkwa |
|---|---|
| InChI | InChI=1S/C31H45N3O5S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-39-27-22-21-25(30(35)36)24-29(27)41(37,38)33-32-31-34(2)26-19-16-17-20-28(26)40-31/h16-17,19-22,24,33H,3-15,18,23H2,1-2H3,(H,35,36)/b32-31+ |
| InChIKey | YAVMINMBNIITOY-QNEJGDQOSA-N |
| Mol Weight | 603.8 g/mol |
| Molecular Formula | C31H45N3O5S2 |
| Exact Mass | 603.280064 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gd1bRflJkDF |
|---|---|
| Name | 4-(hexadecyloxy)-3-sulfobenzoic acid, 3-[(3-methyl-2-benzothiazolinylidene)hydrazide] |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H45N3O5S2 |
| InChI | InChI=1S/C31H45N3O5S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-39-27-22-21-25(30(35)36)24-29(27)41(37,38)33-32-31-34(2)26-19-16-17-20-28(26)40-31/h16-17,19-22,24,33H,3-15,18,23H2,1-2H3,(H,35,36)/b32-31+ |
| InChIKey | YAVMINMBNIITOY-QNEJGDQOSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 50122M |
| Solvent | DMSO-d6 |