| SpectraBase Spectrum ID |
Lsw1AgvcyuE |
| Name |
Ethoxycarbonylmethyl methoxycarbonylmethyl 1,4-dihydro-2,6-dimethyl-4-(2'-difluoromethoxyphenyl)pyridine-3,5-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
497.149737706 u |
| Formula |
C23H25F2NO9 |
| InChI |
InChI=1S/C23H25F2NO9/c1-5-32-17(28)11-34-22(30)19-13(3)26-12(2)18(21(29)33-10-16(27)31-4)20(19)14-8-6-7-9-15(14)35-23(24)25/h6-9,20,23,26H,5,10-11H2,1-4H3 |
| InChIKey |
OLXALHXCIDUXFO-UHFFFAOYSA-N |
| Molecular Weight |
497.448 g/mol |
| SMILES |
C=1(C(C(C(OCC(=O)OCC)=O)=C(NC1C)C)C=1C(OC(F)F)=CC=CC1)C(OCC(=O)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.983818 |
