![p-{4-{2-[p-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}-3-nitro-benzamido}benzenesulfonic acid, 2-phenoxyethyl ester](/api/spectrum/GOMNu1TTgc5/structure.png?h=300&w=458 "p-{4-{2-[p-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}-3-nitro-benzamido}benzenesulfonic acid, 2-phenoxyethyl ester")
| SpectraBase Compound ID | 5MHqnUR2Nj7 |
|---|---|
| InChI | InChI=1S/C37H42N2O9S/c1-36(2,3)26-37(4,5)28-12-16-31(17-13-28)45-21-22-47-34-20-11-27(25-33(34)39(41)42)35(40)38-29-14-18-32(19-15-29)49(43,44)48-24-23-46-30-9-7-6-8-10-30/h6-20,25H,21-24,26H2,1-5H3,(H,38,40) |
| InChIKey | CRDKNNFEDRYQDG-UHFFFAOYSA-N |
| Mol Weight | 690.8 g/mol |
| Molecular Formula | C37H42N2O9S |
| Exact Mass | 690.261102 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GOMNu1TTgc5 |
|---|---|
| Name | p-{4-{2-[p-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}-3-nitro-benzamido}benzenesulfonic acid, 2-phenoxyethyl ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C37H42N2O9S |
| InChI | InChI=1S/C37H42N2O9S/c1-36(2,3)26-37(4,5)28-12-16-31(17-13-28)45-21-22-47-34-20-11-27(25-33(34)39(41)42)35(40)38-29-14-18-32(19-15-29)49(43,44)48-24-23-46-30-9-7-6-8-10-30/h6-20,25H,21-24,26H2,1-5H3,(H,38,40) |
| InChIKey | CRDKNNFEDRYQDG-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 52107M |
| Solvent | Polysol |