![p-Sulfamoylbenzenesulfonic acid, [5-(hexadecylmethylsulfamoyl)-3-methyl-2-benzothiazolinylidene]hydrazide](/api/spectrum/G93k1MVHEKl/structure.png?h=300&w=458 "p-Sulfamoylbenzenesulfonic acid, [5-(hexadecylmethylsulfamoyl)-3-methyl-2-benzothiazolinylidene]hydrazide")
| SpectraBase Compound ID | GMVLQced5J8 |
|---|---|
| InChI | InChI=1S/C31H49N5O6S4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-35(2)46(41,42)28-22-23-30-29(25-28)36(3)31(43-30)33-34-45(39,40)27-20-18-26(19-21-27)44(32,37)38/h18-23,25,34H,4-17,24H2,1-3H3,(H2,32,37,38)/b33-31- |
| InChIKey | VRJWFDXLKWEQFQ-FPODKLOTSA-N |
| Mol Weight | 716.0 g/mol |
| Molecular Formula | C31H49N5O6S4 |
| Exact Mass | 715.256569 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G93k1MVHEKl |
|---|---|
| Name | p-Sulfamoylbenzenesulfonic acid, [5-(hexadecylmethylsulfamoyl)-3-methyl-2-benzothiazolinylidene]hydrazide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 715.256569008 u |
| Formula | C31H49N5O6S4 |
| InChI | InChI=1S/C31H49N5O6S4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-35(2)46(41,42)28-22-23-30-29(25-28)36(3)31(43-30)33-34-45(39,40)27-20-18-26(19-21-27)44(32,37)38/h18-23,25,34H,4-17,24H2,1-3H3,(H2,32,37,38)/b33-31- |
| InChIKey | VRJWFDXLKWEQFQ-FPODKLOTSA-N |
| Molecular Weight | 716.002 g/mol |
| Nominal Mass | 715 u |
| SMILES | N(S(C=1C=CC(S(=O)(=O)N)=CC1)(=O)=O)\N=C/1SC=2C=CC(S(=O)(=O)N(C)CCCCCCCCCCCCCCCC)=CC2N1C |