| SpectraBase Spectrum ID |
JHRTsoLHeO8 |
| Name |
Nifedipine-M/A (-H2) |
| Classification |
Drug metabolite, artifact |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
344.100836237 u |
| Formula |
C17H16N2O6 |
| 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 |
| InChIKey |
UMQHJQGNGLQJPF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
344.323 g/mol |
| Nominal Mass |
344 u |
| Quality |
996 |
| Retention Index |
2308 |
| SMILES |
C1(C2=C([N+](=O)[O-])C=CC=C2)=C(C(=NC(=C1C(OC)=O)C)C)C(OC)=O |
| SPLASH |
splash10-0002-3970000000-001e5a8a2af5cb71ce95 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
dimethyl 2,6-dimethyl-4-(2-nitrophenyl)pyridine-3,5-dicarboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_013008 |
