| SpectraBase Spectrum ID |
1ff8PFeSout |
| Name |
2,6-Dimethyl-4-[3-[[(E)-3-oxo-2-[oxo(propan-2-yloxy)methyl]but-1-enyl]amino]phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
470.205301307 u |
| Formula |
C25H30N2O7 |
| InChI |
InChI=1S/C25H30N2O7/c1-13(2)34-23(29)19(16(5)28)12-26-18-10-8-9-17(11-18)22-20(24(30)32-6)14(3)27-15(4)21(22)25(31)33-7/h8-13,22,26-27H,1-7H3/b19-12+ |
| InChIKey |
VNSFJDARHLQHKD-XDHOZWIPSA-N |
| Molecular Weight |
470.522 g/mol |
| SMILES |
C=1(C(C(C(=O)OC)=C(NC1C)C)C1=CC(N\C=C\(C(OC(C)C)=O)C(=O)C)=CC=C1)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.986669 |
![2,6-Dimethyl-4-[3-[[(E)-3-oxo-2-[oxo(propan-2-yloxy)methyl]but-1-enyl]amino]phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester](/api/spectrum/1ff8PFeSout/structure.png?h=300&w=458 "2,6-Dimethyl-4-[3-[[(E)-3-oxo-2-[oxo(propan-2-yloxy)methyl]but-1-enyl]amino]phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester")
