![3-[2-(benzyloxycarbonylamino)ethoxy]-5-[12-(tert-butoxycarbonylamino)dodecoxy]benzoic acid methyl ester](/api/spectrum/97hvAt50rLa/structure.png?h=300&w=458 "3-[2-(benzyloxycarbonylamino)ethoxy]-5-[12-(tert-butoxycarbonylamino)dodecoxy]benzoic acid methyl ester")
| SpectraBase Compound ID | ABV9qzE7ZFe |
|---|---|
| InChI | InChI=1S/C35H52N2O8/c1-35(2,3)45-34(40)36-20-16-11-9-7-5-6-8-10-12-17-22-42-30-24-29(32(38)41-4)25-31(26-30)43-23-21-37-33(39)44-27-28-18-14-13-15-19-28/h13-15,18-19,24-26H,5-12,16-17,20-23,27H2,1-4H3,(H,36,40)(H,37,39) |
| InChIKey | DBXUYJWTNFKZFU-UHFFFAOYSA-N |
| Mol Weight | 628.8 g/mol |
| Molecular Formula | C35H52N2O8 |
| Exact Mass | 628.372367 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 97hvAt50rLa |
|---|---|
| Name | 3-[2-(benzyloxycarbonylamino)ethoxy]-5-[12-(tert-butoxycarbonylamino)dodecoxy]benzoic acid methyl ester |
| Compound Number | 18 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H52N2O8 |
| InChI | InChI=1S/C35H52N2O8/c1-35(2,3)45-34(40)36-20-16-11-9-7-5-6-8-10-12-17-22-42-30-24-29(32(38)41-4)25-31(26-30)43-23-21-37-33(39)44-27-28-18-14-13-15-19-28/h13-15,18-19,24-26H,5-12,16-17,20-23,27H2,1-4H3,(H,36,40)(H,37,39) |
| InChIKey | DBXUYJWTNFKZFU-UHFFFAOYSA-N |
| Literature Reference Author | A.J.BROUWER,R.M.J.LISKAMP |
| Literature Reference Citation | EUR.J.ORG.CHEM.,487(2005) |
| Molecular Weight | 628.806 g/mol |
| Sample ID | 42282 |
| Solvent | CDCl3 |