| SpectraBase Spectrum ID |
6I77rqsQRBn |
| Name |
8-(4-Chlorophenoyl)-2,3,4,5-tetrahydro-7-hydroxy-6H-pyrrolo[1,2-A]pyrimidin-6-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
290.045819919 u |
| Formula |
C14H11ClN2O3 |
| InChI |
InChI=1S/C14H11ClN2O3/c15-9-4-2-8(3-5-9)11(18)10-12(19)14(20)17-7-1-6-16-13(10)17/h2-5,19H,1,6-7H2 |
| InChIKey |
BEMLUPIECBXKMG-UHFFFAOYSA-N |
| SMILES |
C=1(C=2N(CCCN2)C(C1O)=O)C(C=1C=CC(=CC1)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938544 |
![8-(4-Chlorophenoyl)-2,3,4,5-tetrahydro-7-hydroxy-6H-pyrrolo[1,2-a]pyrimidin-6-one](/api/spectrum/6I77rqsQRBn/structure.png?h=300&w=458 "8-(4-Chlorophenoyl)-2,3,4,5-tetrahydro-7-hydroxy-6H-pyrrolo[1,2-a]pyrimidin-6-one")
