| SpectraBase Spectrum ID |
4D71QFePXkh |
| Name |
Dimethyl 4-(2-bromophenyl)-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 |
379.041921060 u |
| Formula |
C17H18BrNO4 |
| InChI |
InChI=1S/C17H18BrNO4/c1-9-13(16(20)22-3)15(11-7-5-6-8-12(11)18)14(10(2)19-9)17(21)23-4/h5-8,15,19H,1-4H3 |
| InChIKey |
GPGILZSNELVEAP-UHFFFAOYSA-N |
| Molecular Weight |
380.238 g/mol |
| SMILES |
COC(C1=C(C)NC(=C(C1C1=C(C=CC=C1)Br)C(OC)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.981435 |
