![5-[bis(benzyloxycarbonylamino)methyleneamino]-2-(tert-butoxycarbonylamino)-2-(difluoromethyl)pent-3-ynoic acid ethyl ester](/api/spectrum/KX2g2mskInJ/structure.png?h=300&w=458 "5-[bis(benzyloxycarbonylamino)methyleneamino]-2-(tert-butoxycarbonylamino)-2-(difluoromethyl)pent-3-ynoic acid ethyl ester")
| SpectraBase Compound ID | G5pzbWC0MSn |
|---|---|
| InChI | InChI=1S/C30H34F2N4O8/c1-5-41-24(37)30(23(31)32,36-28(40)44-29(2,3)4)17-12-18-33-25(34-26(38)42-19-21-13-8-6-9-14-21)35-27(39)43-20-22-15-10-7-11-16-22/h6-11,13-16,23H,5,18-20H2,1-4H3,(H,36,40)(H2,33,34,35,38,39) |
| InChIKey | PDCGAMIKVDDLKD-UHFFFAOYSA-N |
| Mol Weight | 616.6 g/mol |
| Molecular Formula | C30H34F2N4O8 |
| Exact Mass | 616.23447 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KX2g2mskInJ |
|---|---|
| Name | 5-[bis(benzyloxycarbonylamino)methyleneamino]-2-(tert-butoxycarbonylamino)-2-(difluoromethyl)pent-3-ynoic acid ethyl ester |
| Compound Number | 9C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H34F2N4O8 |
| InChI | InChI=1S/C30H34F2N4O8/c1-5-41-24(37)30(23(31)32,36-28(40)44-29(2,3)4)17-12-18-33-25(34-26(38)42-19-21-13-8-6-9-14-21)35-27(39)43-20-22-15-10-7-11-16-22/h6-11,13-16,23H,5,18-20H2,1-4H3,(H,36,40)(H2,33,34,35,38,39) |
| InChIKey | PDCGAMIKVDDLKD-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 | UWMS28106 |