![5-[4-Carboxy-2-[[1,3-dioxo-3-[4-[(1-oxooctadecyl)amino]phenyl]propyl]amino]phenoxy]isophthalic acid](/api/spectrum/CJ0aalG5KLU/structure.png?h=300&w=458 "5-[4-Carboxy-2-[[1,3-dioxo-3-[4-[(1-oxooctadecyl)amino]phenyl]propyl]amino]phenoxy]isophthalic acid")
| SpectraBase Compound ID | Jqs7ZN9EQ2u |
|---|---|
| InChI | InChI=1S/C42H52N2O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-38(46)43-33-21-18-29(19-22-33)36(45)28-39(47)44-35-27-30(40(48)49)20-23-37(35)54-34-25-31(41(50)51)24-32(26-34)42(52)53/h18-27H,2-17,28H2,1H3,(H,43,46)(H,44,47)(H,48,49)(H,50,51)(H,52,53) |
| InChIKey | QSQBOKJNONRHQL-UHFFFAOYSA-N |
| Mol Weight | 744.9 g/mol |
| Molecular Formula | C42H52N2O10 |
| Exact Mass | 744.362196 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | CJ0aalG5KLU |
|---|---|
| Name | 5-[4-Carboxy-2-[[1,3-dioxo-3-[4-[(1-oxooctadecyl)amino]phenyl]propyl]amino]phenoxy]isophthalic acid |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 394076 |
| CAS Registry Number | 17725-27-8 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C42H52N2O10 |
| InChI | InChI=1S/C42H52N2O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-38(46)43-33-21-18-29(19-22-33)36(45)28-39(47)44-35-27-30(40(48)49)20-23-37(35)54-34-25-31(41(50)51)24-32(26-34)42(52)53/h18-27H,2-17,28H2,1H3,(H,43,46)(H,44,47)(H,48,49)(H,50,51)(H,52,53) |
| InChIKey | QSQBOKJNONRHQL-UHFFFAOYSA-N |
| Observed nucleus | 1H |
| Purity | 95% |
| Solvent | DMSO-d6 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Synonyms | 5-[4-Carboxy-2-({3-oxo-3-[4-(stearoylamino)phenyl]propanoyl}amino)phenoxy]isophthalic acid |
| Wiley ID | SIAL_1HNMR_008619 |