| SpectraBase Spectrum ID |
82Z7Bus286N |
| Name |
Pyridine-3,5-dicarboxylic acid, 1,4-dihydro-4-(5-bromo-2-methoxyphenyl)-, dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
381.021185614 u |
| Formula |
C16H16BrNO5 |
| InChI |
InChI=1S/C16H16BrNO5/c1-21-13-5-4-9(17)6-10(13)14-11(15(19)22-2)7-18-8-12(14)16(20)23-3/h4-8,14,18H,1-3H3 |
| InChIKey |
ZXWBCNVDSFUMDK-UHFFFAOYSA-N |
| Molecular Weight |
382.210 g/mol |
| SMILES |
C1(C(C(=O)OC)=CNC=C1C(=O)OC)C1=C(C=CC(=C1)Br)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963692 |
