| SpectraBase Compound ID | HiBAGbRdtIH |
|---|---|
| InChI | InChI=1S/C30H54N2O2/c1-18-14-26(34)28(32(7)17-18)19(2)27-25(33)16-24-22-9-8-20-15-21(31(5)6)10-12-29(20,3)23(22)11-13-30(24,27)4/h18-28,33-34H,8-17H2,1-7H3/t18-,19+,20+,21+,22-,23+,24+,25-,26+,27+,28-,29+,30+/m1/s1 |
| InChIKey | CRVCMRQIHDJBAQ-UKSFLFEPSA-N |
| Mol Weight | 474.8 g/mol |
| Molecular Formula | C30H54N2O2 |
| Exact Mass | 474.418529 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | oo1BIBVEPQ |
|---|---|
| Name | 3-N,N,N'-TRIMETHYL-SOLACAPINE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H54N2O2 |
| InChI | InChI=1S/C30H54N2O2/c1-18-14-26(34)28(32(7)17-18)19(2)27-25(33)16-24-22-9-8-20-15-21(31(5)6)10-12-29(20,3)23(22)11-13-30(24,27)4/h18-28,33-34H,8-17H2,1-7H3/t18-,19+,20+,21+,22-,23+,24+,25-,26+,27+,28-,29+,30+/m1/s1 |
| InChIKey | CRVCMRQIHDJBAQ-UKSFLFEPSA-N |
| Literature Reference Author | A.K.CHAKRAVARTY,B.DAS,E.ALI,S.C.PAKRASHI |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,467(1984) |
| Literature Reference DOI | 10.1039/p19840000467 |
| Molecular Weight | 474.771 g/mol |
| Solvent | CDCl3:CD3OD=3:1 |
| Source File Reference | UNIW17202 |