| SpectraBase Compound ID | 5crUlaU02ex |
|---|---|
| InChI | InChI=1S/C36H54Cl2O6/c1-5-7-11-23-13-9-15-27(37)21-34(44-4)26-19-31(41)36(32(42)20-26)24(12-8-6-2)14-10-16-28(38)22-33(43-3)25-17-29(39)35(23)30(40)18-25/h17-20,23-24,27-28,33-34,39-42H,5-16,21-22H2,1-4H3/t23-,24-,27+,28+,33+,34+/m0/s1 |
| InChIKey | FYBKUFIZQMYJHP-QENHJSLFSA-N |
| Mol Weight | 653.7 g/mol |
| Molecular Formula | C36H54Cl2O6 |
| Exact Mass | 652.329745 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 87oCc2dggP2 |
|---|---|
| Name | NOSTOCYCLOPHANE-D |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H54Cl2O6 |
| InChI | InChI=1S/C36H54Cl2O6/c1-5-7-11-23-13-9-15-27(37)21-34(44-4)26-19-31(41)36(32(42)20-26)24(12-8-6-2)14-10-16-28(38)22-33(43-3)25-17-29(39)35(23)30(40)18-25/h17-20,23-24,27-28,33-34,39-42H,5-16,21-22H2,1-4H3/t23-,24-,27+,28+,33+,34+/m0/s1 |
| InChIKey | FYBKUFIZQMYJHP-QENHJSLFSA-N |
| Literature Reference Author | B.S.MOORE,J.L.CHEN,G.M.L.PATTERSON,R.E.MOORE |
| Literature Reference Citation | J.AM.CHEM.SOC.,112,4061(1990) |
| Literature Reference DOI | 10.1021/ja00166a066 |
| Molecular Weight | 653.727 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWRU6694 |