| SpectraBase Compound ID | 8xWWUANHlzh |
|---|---|
| InChI | InChI=1S/C28H46N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(28(33)34)21-27(32)29-25-20-19-24(30(35)36)22-26(25)31/h19-20,22-23,31H,2-18,21H2,1H3,(H,29,32)(H,33,34) |
| InChIKey | LZJVYDCQBJKOKF-UHFFFAOYSA-N |
| Mol Weight | 506.7 g/mol |
| Molecular Formula | C28H46N2O6 |
| Exact Mass | 506.335587 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 44YTJpOd9TX |
|---|---|
| Name | 2'-Hydroxy-4'-nitro-2-octadecylsuccinanilic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 506.335587203 u |
| Formula | C28H46N2O6 |
| InChI | InChI=1S/C28H46N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(28(33)34)21-27(32)29-25-20-19-24(30(35)36)22-26(25)31/h19-20,22-23,31H,2-18,21H2,1H3,(H,29,32)(H,33,34) |
| InChIKey | LZJVYDCQBJKOKF-UHFFFAOYSA-N |
| Molecular Weight | 506.684 g/mol |
| SMILES | N(=O)(=O)C1=CC=C(C(=C1)O)NC(CC(C(O)=O)CCCCCCCCCCCCCCCCCC)=O |