![m-Sulfobenzoic acid, m-[(3-hexadecyl-2-benzothiazolinylidene)hydrazide]](/api/spectrum/AG2m51qxlOz/structure.png?h=300&w=458 "m-Sulfobenzoic acid, m-[(3-hexadecyl-2-benzothiazolinylidene)hydrazide]")
| SpectraBase Compound ID | 4dNsJPwoeXv |
|---|---|
| InChI | InChI=1S/C30H43N3O4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23-33-27-21-15-16-22-28(27)38-30(33)31-32-39(36,37)26-20-18-19-25(24-26)29(34)35/h15-16,18-22,24,32H,2-14,17,23H2,1H3,(H,34,35)/b31-30- |
| InChIKey | REDIEWNBRMNEFX-KTMFPKCZSA-N |
| Mol Weight | 573.8 g/mol |
| Molecular Formula | C30H43N3O4S2 |
| Exact Mass | 573.269499 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AG2m51qxlOz |
|---|---|
| Name | m-Sulfobenzoic acid, m-[(3-hexadecyl-2-benzothiazolinylidene)hydrazide] |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 573.269499221 u |
| Formula | C30H43N3O4S2 |
| InChI | InChI=1S/C30H43N3O4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23-33-27-21-15-16-22-28(27)38-30(33)31-32-39(36,37)26-20-18-19-25(24-26)29(34)35/h15-16,18-22,24,32H,2-14,17,23H2,1H3,(H,34,35)/b31-30- |
| InChIKey | REDIEWNBRMNEFX-KTMFPKCZSA-N |
| Molecular Weight | 573.811 g/mol |
| SMILES | N(\N=C\1N(C=2C=CC=CC2S1)CCCCCCCCCCCCCCCC)S(C=1C=CC=C(C(O)=O)C1)(=O)=O |