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Cholest-2-eno[2,3-b]quinoxaline, 6',7'-dimethyl-
SpectraBase Compound ID 4OXa9d8b5uM
InChI InChI=1S/C35H52N2/c1-21(2)9-8-10-22(3)27-13-14-28-26-12-11-25-19-32-33(20-35(25,7)29(26)15-16-34(27,28)6)37-31-18-24(5)23(4)17-30(31)36-32/h17-18,21-22,25-29H,8-16,19-20H2,1-7H3
InChIKey FJWIADQOIIIKKK-UHFFFAOYSA-N
Mol Weight 500.8 g/mol
Molecular Formula C35H52N2
Exact Mass 500.41305 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 125q78QKaFJ
Name Cholest-2-eno[2,3-B]quinoxaline, 6',7'-dimethyl-
Comments Computed using HOSE algorithm
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Exact Mass 500.413049682 u
Formula C35H52N2
InChI InChI=1S/C35H52N2/c1-21(2)9-8-10-22(3)27-13-14-28-26-12-11-25-19-32-33(20-35(25,7)29(26)15-16-34(27,28)6)37-31-18-24(5)23(4)17-30(31)36-32/h17-18,21-22,25-29H,8-16,19-20H2,1-7H3
InChIKey FJWIADQOIIIKKK-UHFFFAOYSA-N
Molecular Weight 500.815 g/mol
SMILES CC1=CC2=NC=3CC4CCC5C6C(C(C(CCCC(C)C)C)CC6)(C)CCC5C4(C)CC3N=C2C=C1C