![TERT.-BUTYL_(1S,2R,2ïS)-2-[2ï-(N-TERT.-BUTOXYCARBAMOYLMETHYL)-3ï-PHENYLPROPIONYAMINO]-CYCLOHEXANE-1-CARBOXYLATE](/api/spectrum/GF2yvqei1ZZ/structure.png?h=300&w=458 "TERT.-BUTYL_(1S,2R,2ïS)-2-[2ï-(N-TERT.-BUTOXYCARBAMOYLMETHYL)-3ï-PHENYLPROPIONYAMINO]-CYCLOHEXANE-1-CARBOXYLATE")
| SpectraBase Compound ID | 8J4h3LIWSwF |
|---|---|
| InChI | InChI=1S/C26H40N2O5/c1-25(2,3)32-24(31)20-14-10-11-15-21(20)27-23(30)19(16-18-12-8-7-9-13-18)17-22(29)28-33-26(4,5)6/h7-9,12-13,19-21H,10-11,14-17H2,1-6H3,(H,27,30)(H,28,29)/t19-,20-,21+/m0/s1 |
| InChIKey | CNXUYAGPDNOVNZ-PCCBWWKXSA-N |
| Mol Weight | 460.6 g/mol |
| Molecular Formula | C26H40N2O5 |
| Exact Mass | 460.293722 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GF2yvqei1ZZ |
|---|---|
| Name | TERT.-BUTYL_(1S,2R,2ïS)-2-[2ï-(N-TERT.-BUTOXYCARBAMOYLMETHYL)-3ï-PHENYLPROPIONYAMINO]-CYCLOHEXANE-1-CARBOXYLATE |
| Compound Number | 16 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H40N2O5 |
| InChI | InChI=1S/C26H40N2O5/c1-25(2,3)32-24(31)20-14-10-11-15-21(20)27-23(30)19(16-18-12-8-7-9-13-18)17-22(29)28-33-26(4,5)6/h7-9,12-13,19-21H,10-11,14-17H2,1-6H3,(H,27,30)(H,28,29)/t19-,20-,21+/m0/s1 |
| InChIKey | CNXUYAGPDNOVNZ-PCCBWWKXSA-N |
| Literature Reference Author | S.G.DAVIES,D.J.DIXON |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,2629(1998) |
| Literature Reference DOI | 10.1039/a804660c |
| Molecular Weight | 460.614 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ6302 |