| SpectraBase Spectrum ID |
Ab7n8bAnhj2 |
| Name |
Nitrendipine-A (-2H) |
| Classification |
Pharmaceutical drug, coronary vasodilator |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
358.116486302 u |
| Formula |
C18H18N2O6 |
| InChI |
InChI=1S/C18H18N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9H,5H2,1-4H3 |
| InChIKey |
YEHVABIPGJLMET-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
358.350 g/mol |
| Nominal Mass |
358 u |
| Quality |
1000 |
| Retention Index |
2746 |
| SMILES |
C=1(C(=C(N=C(C1C(OC)=O)C)C)C(OCC)=O)C1=CC(=CC=C1)[N+](=O)[O-] |
| SPLASH |
splash10-01ox-2889000000-5571199835726bd57285 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-ethyl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_029783 |
