![2-(benzyloxycarbonylamino)-5-[bis(tert-butoxycarbonylamino)methyleneamino]-2-(difluoromethyl)pent-3-ynoic acid methyl ester](/api/spectrum/1kE1asNLr4K/structure.png?h=300&w=458 "2-(benzyloxycarbonylamino)-5-[bis(tert-butoxycarbonylamino)methyleneamino]-2-(difluoromethyl)pent-3-ynoic acid methyl ester")
| SpectraBase Compound ID | L8S56NlFuxg |
|---|---|
| InChI | InChI=1S/C26H34F2N4O8/c1-24(2,3)39-21(34)30-20(31-22(35)40-25(4,5)6)29-15-11-14-26(18(27)28,19(33)37-7)32-23(36)38-16-17-12-9-8-10-13-17/h8-10,12-13,18H,15-16H2,1-7H3,(H,32,36)(H2,29,30,31,34,35) |
| InChIKey | JLNLJXQFGQWNQH-UHFFFAOYSA-N |
| Mol Weight | 568.6 g/mol |
| Molecular Formula | C26H34F2N4O8 |
| Exact Mass | 568.23447 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1kE1asNLr4K |
|---|---|
| Name | 2-(benzyloxycarbonylamino)-5-[bis(tert-butoxycarbonylamino)methyleneamino]-2-(difluoromethyl)pent-3-ynoic acid methyl ester |
| Compound Number | 9D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H34F2N4O8 |
| InChI | InChI=1S/C26H34F2N4O8/c1-24(2,3)39-21(34)30-20(31-22(35)40-25(4,5)6)29-15-11-14-26(18(27)28,19(33)37-7)32-23(36)38-16-17-12-9-8-10-13-17/h8-10,12-13,18H,15-16H2,1-7H3,(H,32,36)(H2,29,30,31,34,35) |
| InChIKey | JLNLJXQFGQWNQH-UHFFFAOYSA-N |
| Literature Reference Author | M.MORONI,B.KOKSCH,S.N.OSIPOV,M.CRUCIANELLI,M.FRIGERIO,P.BRAV O,K.BURGER |
| Literature Reference Citation | J.ORG.CHEM.,66,130(2001) |
| Literature Reference DOI | 10.1021/jo0009043 |
| Solvent | CDCl3 |
| Source File Reference | UWMS28107 |