| SpectraBase Spectrum ID |
DQxX3vT6O3o |
| Name |
Ethyl 4-(2-bromo-4,5-dimethoxyphenyl)-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
467.094350555 u |
| Formula |
C21H26BrNO6 |
| InChI |
InChI=1S/C21H26BrNO6/c1-7-28-20(24)17-11(3)23-12(4)18(21(25)29-8-2)19(17)13-9-15(26-5)16(27-6)10-14(13)22/h9-10,19,23H,7-8H2,1-6H3 |
| InChIKey |
MUCYBUCJKKRCFJ-UHFFFAOYSA-N |
| Molecular Weight |
468.344 g/mol |
| SMILES |
C1(=C(NC(=C(C1C1=C(C=C(C(=C1)OC)OC)Br)C(OCC)=O)C)C)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899429 |
