![5-[bis(benzyloxycarbonylamino)methyleneamino]-2-(tert-butoxycarbonylamino)-2-(trifluoromethyl)valeric acid methyl ester](/api/spectrum/CJWQppfG1Fp/structure.png?h=300&w=458 "5-[bis(benzyloxycarbonylamino)methyleneamino]-2-(tert-butoxycarbonylamino)-2-(trifluoromethyl)valeric acid methyl ester")
| SpectraBase Compound ID | 7Ym8qZ3F4If |
|---|---|
| InChI | InChI=1S/C29H35F3N4O8/c1-27(2,3)44-26(40)36-28(22(37)41-4,29(30,31)32)16-11-17-33-23(34-24(38)42-18-20-12-7-5-8-13-20)35-25(39)43-19-21-14-9-6-10-15-21/h5-10,12-15H,11,16-19H2,1-4H3,(H,36,40)(H2,33,34,35,38,39) |
| InChIKey | JZLIJJTTYDVIMO-UHFFFAOYSA-N |
| Mol Weight | 624.6 g/mol |
| Molecular Formula | C29H35F3N4O8 |
| Exact Mass | 624.240699 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CJWQppfG1Fp |
|---|---|
| Name | 5-[bis(benzyloxycarbonylamino)methyleneamino]-2-(tert-butoxycarbonylamino)-2-(trifluoromethyl)valeric acid methyl ester |
| Compound Number | 7B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H35F3N4O8 |
| InChI | InChI=1S/C29H35F3N4O8/c1-27(2,3)44-26(40)36-28(22(37)41-4,29(30,31)32)16-11-17-33-23(34-24(38)42-18-20-12-7-5-8-13-20)35-25(39)43-19-21-14-9-6-10-15-21/h5-10,12-15H,11,16-19H2,1-4H3,(H,36,40)(H2,33,34,35,38,39) |
| InChIKey | JZLIJJTTYDVIMO-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 | UWMS28109 |