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CARBAMIDOCYCLOPHANE_A
SpectraBase Compound ID 5k0xnvdwZye
InChI InChI=1S/C38H54Cl4N2O8/c1-21-9-3-5-11-23(13-7-15-31(39)40)34-29(47)19-26(20-30(34)48)36(52-38(44)50)22(2)10-4-6-12-24(14-8-16-32(41)42)33-27(45)17-25(18-28(33)46)35(21)51-37(43)49/h17-24,31-32,35-36,45-48H,3-16H2,1-2H3,(H2,43,49)(H2,44,50)/t21-,22-,23?,24?,35+,36+/m0/s1
InChIKey KQQDTKLGLAIGOF-TXPPAELQSA-N
Mol Weight 808.7 g/mol
Molecular Formula C38H54Cl4N2O8
Exact Mass 806.263427 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B7pkQ5nBKET
Name CARBAMIDOCYCLOPHANE_A
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H54Cl4N2O8
InChI InChI=1S/C38H54Cl4N2O8/c1-21-9-3-5-11-23(13-7-15-31(39)40)34-29(47)19-26(20-30(34)48)36(52-38(44)50)22(2)10-4-6-12-24(14-8-16-32(41)42)33-27(45)17-25(18-28(33)46)35(21)51-37(43)49/h17-24,31-32,35-36,45-48H,3-16H2,1-2H3,(H2,43,49)(H2,44,50)/t21-,22-,23?,24?,35+,36+/m0/s1
InChIKey KQQDTKLGLAIGOF-TXPPAELQSA-N
Literature Reference Author H.T.N.BUI,R.JANSEN,H.T.L.PHAM,S.MUNDT
Literature Reference Citation J.NAT.PROD.,70,499(2007)
Literature Reference DOI 10.1021/np060324m
Molecular Weight 808.667 g/mol
Sample ID 30419
Solvent CD3OD