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Mixture of bis(Trideuteromethyl) 1,4-dihydro-2,6-(CD3)2-4-(2-NO2-phenyl)-3,5-pyridinedicarboxylate with hexa- and hepta-deuterated compounds

View entire compound with spectra: 1 MS (GC)

Mixture of bis(Trideuteromethyl) 1,4-dihydro-2,6-(CD3)2-4-(2-NO2-phenyl)-3,5-pyridinedicarboxylate with hexa- and hepta-deuterated compounds
SpectraBase Compound ID 83vbvR4WPut
InChI InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3/i1D,2D,3D3,4D3
InChIKey HYIMSNHJOBLJNT-JUMLFLSTSA-N
Mol Weight 354.39 g/mol
Molecular Formula C17H102D8N2O6
Exact Mass 354.1667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FVWR1fqfXYW
Name Mixture of bis(Trideuteromethyl) 1,4-dihydro-2,6-(CD3)2-4-(2-NO2-phenyl)-3,5-pyridinedicarboxylate with hexa- and hepta-deuterated compounds
Comments Less than 3 mono-isotopic peaks
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Formula C17H10D8N2O6
InChI InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3/i1D,2D,3D3,4D3
InChIKey HYIMSNHJOBLJNT-JUMLFLSTSA-N
Molecular Weight 354.388 g/mol
SMILES N1C(=C(C(C(=C1C[2D])C(=O)OC([2D])([2D])[2D])c1c(N(=O)=O)cccc1)C(=O)OC([2D])([2D])[2D])C[2D]
SPLASH splash10-000i-0009000000-29c5bcbf4aaa1fe19371
Source of Spectrum KO-5-220-1
Wiley ID 1339102