| SpectraBase Spectrum ID |
9LogBL9Lz2a |
| Name |
4-Bromo-N-[2-(2,6-dimethyl-morpholine-4-carbonyl)-phenyl]-benzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
416.073555541 u |
| Formula |
C20H21BrN2O3 |
| InChI |
InChI=1S/C20H21BrN2O3/c1-13-11-23(12-14(2)26-13)20(25)17-5-3-4-6-18(17)22-19(24)15-7-9-16(21)10-8-15/h3-10,13-14H,11-12H2,1-2H3,(H,22,24) |
| InChIKey |
GCUTVJMZNUAOFY-UHFFFAOYSA-N |
| Molecular Weight |
417.303 g/mol |
| SMILES |
C1=CC=C(C(N2CC(OC(C)C2)C)=O)C(=C1)NC(C1=CC=C(C=C1)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901332 |
![4-Bromo-N-[2-(2,6-dimethyl-morpholine-4-carbonyl)-phenyl]-benzamide](/api/spectrum/9LogBL9Lz2a/structure.png?h=300&w=458 "4-Bromo-N-[2-(2,6-dimethyl-morpholine-4-carbonyl)-phenyl]-benzamide")
