| SpectraBase Spectrum ID |
JJV9Xz80CPY |
| Name |
Nitrendipine-M (Desethyl,dehydro,-OH,-H2O) |
| Classification |
Pharmaceutical drug metabolite |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
328.069536108 u |
| Formula |
C16H12N2O6 |
| InChI |
InChI=1S/C16H12N2O6/c1-8-12(15(19)23-2)13(14-11(17-8)7-24-16(14)20)9-4-3-5-10(6-9)18(21)22/h3-6H,7H2,1-2H3 |
| InChIKey |
UNUPIHCTFMPTBT-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
328.280 g/mol |
| Nominal Mass |
328 u |
| Quality |
912 |
| Retention Index |
2575 |
| SMILES |
C=1(C2=C(N=C(C1C(OC)=O)C)COC2=O)C1=CC([N+](=O)[O-])=CC=C1 |
| SPLASH |
splash10-03di-2986000000-c5f2cde857a05e220eff |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl 2-methyl-4-(3-nitrophenyl)-5-oxo-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003234 |
