| SpectraBase Compound ID | 5OfeaMYQy78 |
|---|---|
| InChI | InChI=1S/C39H48ClN4.ClH/c1-3-37-17-10-23-44(26-40)24-20-39(19-18-37)33(36(37)44)29-12-6-8-14-31(29)43(39)32-25-38(4-2)16-9-21-41-22-15-28-27-11-5-7-13-30(27)42(32)34(28)35(38)41;/h5-9,11-14,16,32-33,35-36H,3-4,10,15,17-26H2,1-2H3;1H/q+1;/p-1/t32-,33+,35+,36-,37?,38-,39+,44-;/m1./s1 |
| InChIKey | MXINWDDODVYPCK-SCRDNZGZSA-M |
| Mol Weight | 643.7 g/mol |
| Molecular Formula | C39H48Cl2N4 |
| Exact Mass | 642.325603 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 12X6GZTdfHU |
|---|---|
| Name | CHLOROMETHYL-CELASTROMELINIUM |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H48Cl2N4 |
| InChI | InChI=1S/C39H48ClN4.ClH/c1-3-37-17-10-23-44(26-40)24-20-39(19-18-37)33(36(37)44)29-12-6-8-14-31(29)43(39)32-25-38(4-2)16-9-21-41-22-15-28-27-11-5-7-13-30(27)42(32)34(28)35(38)41;/h5-9,11-14,16,32-33,35-36H,3-4,10,15,17-26H2,1-2H3;1H/q+1;/p-1/t32-,33+,35+,36-,37?,38-,39+,44-;/m1./s1 |
| InChIKey | MXINWDDODVYPCK-SCRDNZGZSA-M |
| Literature Reference Author | H.MEHRI,S.BAASSOU,M.PLAT |
| Literature Reference Citation | J.NAT.PROD.,54,372(1991) |
| Literature Reference DOI | 10.1021/np50074a004 |
| Molecular Weight | 643.743 g/mol |
| Solvent | Unknown |
| Source File Reference | UWPR1972 |