| SpectraBase Spectrum ID |
KtgkdEAE1oC |
| Name |
1-[2-[(4-Bromobenzoyl)amino]benzoyl]isonipecotamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
429.068804513 u |
| Formula |
C20H20BrN3O3 |
| InChI |
InChI=1S/C20H20BrN3O3/c21-15-7-5-14(6-8-15)19(26)23-17-4-2-1-3-16(17)20(27)24-11-9-13(10-12-24)18(22)25/h1-8,13H,9-12H2,(H2,22,25)(H,23,26) |
| InChIKey |
QQVLBCVBLVAMMI-UHFFFAOYSA-N |
| Molecular Weight |
430.302 g/mol |
| SMILES |
C(C1=C(NC(C2=CC=C(C=C2)Br)=O)C=CC=C1)(N1CCC(C(=O)N)CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940333 |
![1-[2-[(4-Bromobenzoyl)amino]benzoyl]isonipecotamide](/api/spectrum/KtgkdEAE1oC/structure.png?h=300&w=458 "1-[2-[(4-Bromobenzoyl)amino]benzoyl]isonipecotamide")
