![N-carboxyanthranilic acid, N-{2-[alpha-(carboxyamino)-p-toluamido]ethyl} ester, 1-(4-hydroxybutyl)ester, 1-(benzyl terephthalate) N-tert-butyl ester](/api/spectrum/GeJKX1irf8K/structure.png?h=300&w=458 "N-carboxyanthranilic acid, N-{2-[alpha-(carboxyamino)-p-toluamido]ethyl} ester, 1-(4-hydroxybutyl)ester, 1-(benzyl terephthalate) N-tert-butyl ester")
| SpectraBase Compound ID | AUewL5KzEQN |
|---|---|
| InChI | InChI=1S/C42H45N3O11/c1-42(2,3)56-40(50)44-27-29-15-17-31(18-16-29)36(46)43-23-26-54-41(51)45-35-14-8-7-13-34(35)39(49)53-25-10-9-24-52-37(47)32-19-21-33(22-20-32)38(48)55-28-30-11-5-4-6-12-30/h4-8,11-22H,9-10,23-28H2,1-3H3,(H,43,46)(H,44,50)(H,45,51) |
| InChIKey | IUETWAVQJXELHD-UHFFFAOYSA-N |
| Mol Weight | 767.8 g/mol |
| Molecular Formula | C42H45N3O11 |
| Exact Mass | 767.305409 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GeJKX1irf8K |
|---|---|
| Name | N-carboxyanthranilic acid, N-{2-[alpha-(carboxyamino)-p-toluamido]ethyl} ester, 1-(4-hydroxybutyl)ester, 1-(benzyl terephthalate) N-tert-butyl ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C42H45N3O11 |
| InChI | InChI=1S/C42H45N3O11/c1-42(2,3)56-40(50)44-27-29-15-17-31(18-16-29)36(46)43-23-26-54-41(51)45-35-14-8-7-13-34(35)39(49)53-25-10-9-24-52-37(47)32-19-21-33(22-20-32)38(48)55-28-30-11-5-4-6-12-30/h4-8,11-22H,9-10,23-28H2,1-3H3,(H,43,46)(H,44,50)(H,45,51) |
| InChIKey | IUETWAVQJXELHD-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 49082M |
| Solvent | DMSO-d6 |