| SpectraBase Spectrum ID |
IbtnHZKVRi3 |
| Name |
2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid bis(trideuteriomethyl) ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H12D6N2O6 |
| 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/i3D3,4D3 |
| InChIKey |
HYIMSNHJOBLJNT-LIJFRPJRSA-N |
| Molecular Weight |
352.376 g/mol |
| SMILES |
N1C(=C(C(C(=C1C)C(=O)OC([2D])([2D])[2D])c1c(N(=O)=O)cccc1)C(=O)OC([2D])([2D])[2D])C |
| SPLASH |
splash10-000i-0009000000-29c5bcbf4aaa1fe19371 |
| Source of Spectrum |
KO-5-220-1 |
| Synonyms |
bis(trideuteriomethyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
| Wiley ID |
1339100 |
