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Echinulin, N,N'-bis-methyl

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Echinulin, N,N'-bis-methyl
SpectraBase Compound ID 1DJlwSt9GwW
InChI InChI=1S/C31H43N3O2/c1-11-31(7,8)28-25(18-26-30(36)33(9)21(6)29(35)34(26)10)24-17-22(14-12-19(2)3)16-23(27(24)32-28)15-13-20(4)5/h11-13,16-17,21,26,32H,1,14-15,18H2,2-10H3/t21-,26-/m0/s1
InChIKey UPYHUFGBOZCXGD-LVXARBLLSA-N
Mol Weight 489.7 g/mol
Molecular Formula C31H43N3O2
Exact Mass 489.335528 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 15VujcOgnO7
Name Echinulin, N,N'-bis-methyl
Comments Computed using HOSE algorithm
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Exact Mass 489.335527635 u
Formula C31H43N3O2
InChI InChI=1S/C31H43N3O2/c1-11-31(7,8)28-25(18-26-30(36)33(9)21(6)29(35)34(26)10)24-17-22(14-12-19(2)3)16-23(27(24)32-28)15-13-20(4)5/h11-13,16-17,21,26,32H,1,14-15,18H2,2-10H3/t21-,26-/m0/s1
InChIKey UPYHUFGBOZCXGD-LVXARBLLSA-N
Molecular Weight 489.704 g/mol
SMILES C1(N([C@](C(N([C@]1(CC1=C(NC2=C1C=C(C=C2CC=C(C)C)CC=C(C)C)C(C=C)(C)C)[H])C)=O)(C)[H])C)=O