| SpectraBase Compound ID | Aj7UVpfFFzh |
|---|---|
| InChI | InChI=1S/C43H68O6/c1-13-38(7)23-17-30-40(9)21-15-19-36(3,4)34(40)28(26-42(30,11)48-38)46-32(44)25-33(45)47-29-27-43(12)31(18-24-39(8,14-2)49-43)41(10)22-16-20-37(5,6)35(29)41/h13-14,28-31,34-35H,1-2,15-27H2,3-12H3/t28-,29-,30+,31+,34-,35-,38-,39-,40+,41+,42+,43+/m0/s1 |
| InChIKey | AGOFCPJMCNEYTN-MOKDQISWSA-N |
| Mol Weight | 681.0 g/mol |
| Molecular Formula | C43H68O6 |
| Exact Mass | 680.50159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5weTIUDAUJ2 |
|---|---|
| Name | BIS-6-ALPHA-DIOXYMANOYL-MALONATE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H68O6 |
| InChI | InChI=1S/C43H68O6/c1-13-38(7)23-17-30-40(9)21-15-19-36(3,4)34(40)28(26-42(30,11)48-38)46-32(44)25-33(45)47-29-27-43(12)31(18-24-39(8,14-2)49-43)41(10)22-16-20-37(5,6)35(29)41/h13-14,28-31,34-35H,1-2,15-27H2,3-12H3/t28-,29-,30+,31+,34-,35-,38-,39-,40+,41+,42+,43+/m0/s1 |
| InChIKey | AGOFCPJMCNEYTN-MOKDQISWSA-N |
| Literature Reference Author | W.M.B.D.SILVA,E.R.SILVEIRA,O.D.L.PESSOA |
| Literature Reference Citation | MAGN.RES.CHEM.,48,486(2010) |
| Molecular Weight | 681.009 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR16444 |