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Mixture of bis(Trideuteromethyl) 2-deuteromethyl-6-methyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylate with hexa- and octa-deuterated compounds

View entire compound with spectra: 1 MS (GC)

Mixture of bis(Trideuteromethyl) 2-deuteromethyl-6-methyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylate with hexa- and octa-deuterated compounds
SpectraBase Compound ID 1stz9YaR6Sd
InChI InChI=1S/C17H16N2O6/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/h5-8H,1-4H3/i1D,3D3,4D3
InChIKey UMQHJQGNGLQJPF-VOUBXFNSSA-N
Mol Weight 351.37 g/mol
Molecular Formula C17H92D7N2O6
Exact Mass 351.144773 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4VATVFX5dyF
Name Mixture of bis(Trideuteromethyl) 2-deuteromethyl-6-methyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylate with hexa- and octa-deuterated compounds
Alternate Name(s) Mixture of bis(Tridueteromethyl) 2-deuteromethyl-6-methyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylate with hexa- and octa-deuterated compounds
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H9D7N2O6
InChI InChI=1S/C17H16N2O6/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/h5-8H,1-4H3/i1D,3D3,4D3
InChIKey UMQHJQGNGLQJPF-VOUBXFNSSA-N
Molecular Weight 351.366 g/mol
SMILES c1(c(c(C)nc(c1C(=O)OC([2D])([2D])[2D])C[2D])C(=O)OC([2D])([2D])[2D])-c1c(N(=O)=O)cccc1
SPLASH splash10-0a4i-0009000000-53c7b7187f29a5d97719
Source of Spectrum KO-5-221-2
Wiley ID 1337748