| SpectraBase Spectrum ID |
DlZNLfeluUq |
| Name |
Nitrendipine-M/A (-C3H6O2) |
| Classification |
Pharmaceutical drug metabolite, artifact |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
286.095356935 u |
| Formula |
C15H14N2O4 |
| InChI |
InChI=1S/C15H14N2O4/c1-9-7-13(14(10(2)16-9)15(18)21-3)11-5-4-6-12(8-11)17(19)20/h4-8H,1-3H3 |
| InChIKey |
YIFUVPQDWJKOSY-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
286.287 g/mol |
| Nominal Mass |
286 u |
| Quality |
980 |
| Retention Index |
2225 |
| SMILES |
C1(=C(C2=CC(=CC=C2)[N+](=O)[O-])C=C(N=C1C)C)C(OC)=O |
| SPLASH |
splash10-014r-1390000000-197a880101645426d270 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032539 |
