| SpectraBase Compound ID | 4C5blhKXOH0 |
|---|---|
| InChI | InChI=1S/C39H48ClN4.ClH/c1-3-37-15-8-21-44(25-40)22-18-39(17-16-37)33(36(37)44)29-23-26(11-12-30(29)41-39)32-24-38(4-2)14-7-19-42-20-13-28-27-9-5-6-10-31(27)43(32)34(28)35(38)42;/h5-7,9-12,14,23,32-33,35-36,41H,3-4,8,13,15-22,24-25H2,1-2H3;1H/q+1;/p-1/t32-,33+,35-,36+,37?,38+,39+,44-;/m1./s1 |
| InChIKey | FBNLECKYUQXMEU-LKGNHLLMSA-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 | 9LjRVCRPDyQ |
|---|---|
| Name | CHLOROMETHYL-CELASTROMELINIUM |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H48Cl2N4 |
| InChI | InChI=1S/C39H48ClN4.ClH/c1-3-37-15-8-21-44(25-40)22-18-39(17-16-37)33(36(37)44)29-23-26(11-12-30(29)41-39)32-24-38(4-2)14-7-19-42-20-13-28-27-9-5-6-10-31(27)43(32)34(28)35(38)42;/h5-7,9-12,14,23,32-33,35-36,41H,3-4,8,13,15-22,24-25H2,1-2H3;1H/q+1;/p-1/t32-,33+,35-,36+,37?,38+,39+,44-;/m1./s1 |
| InChIKey | FBNLECKYUQXMEU-LKGNHLLMSA-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 | UWPR1974 |