| SpectraBase Spectrum ID |
HxfnUXmZkns |
| Name |
8-(4-Bromobenzoyl)-1,2,3,4-tetrahydropyrrolo[1,2-A]pyrimidin-7(6)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.016040665 u |
| Formula |
C14H13BrN2O2 |
| InChI |
InChI=1S/C14H13BrN2O2/c15-10-4-2-9(3-5-10)13(19)12-11(18)8-17-7-1-6-16-14(12)17/h2-5,16H,1,6-8H2 |
| InChIKey |
KOUSMYOVRJITDW-UHFFFAOYSA-N |
| Molecular Weight |
321.174 g/mol |
| SMILES |
C1(=C2N(CCCN2)CC1=O)C(C1=CC=C(C=C1)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.807723 |
![8-(4-Bromobenzoyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidin-7(6)-one](/api/spectrum/HxfnUXmZkns/structure.png?h=300&w=458 "8-(4-Bromobenzoyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidin-7(6)-one")
