| SpectraBase Spectrum ID |
2xO2lEiGhs |
| Name |
Nifedipine |
| CAS Registry Number |
21829-25-4 |
| Classification |
Pharmaceutical drug, coronary vasodilator |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
346.116486302 u |
| Formula |
C17H18N2O6 |
| 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 |
| InChIKey |
HYIMSNHJOBLJNT-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
346.339 g/mol |
| Nominal Mass |
346 u |
| Quality |
917 |
| Retention Index |
2536 |
| SMILES |
C1(C(=C(NC(=C1C(OC)=O)C)C)C(OC)=O)C1=C([N+](=O)[O-])C=CC=C1 |
| SPLASH |
splash10-00c0-0395000000-6440c6b56ec36a0d1f2e |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Dimethyl-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003178 |
