| 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 |
| 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 |
| Synonyms |
Mixture of bis(Tridueteromethyl) 2-deuteromethyl-6-methyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylate with hexa- and octa-deuterated compounds |
| Wiley ID |
1337748 |
