| SpectraBase Spectrum ID |
17VQA9TlftU |
| Name |
6-(4-Chlorophenyl)-3-methylpyrrolo[1,2-C]pyrimidin-1(7H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.055990681 u |
| Formula |
C14H11ClN2O |
| InChI |
InChI=1S/C14H11ClN2O/c1-9-6-13-7-11(8-17(13)14(18)16-9)10-2-4-12(15)5-3-10/h2-7H,8H2,1H3 |
| InChIKey |
LRZFJPMDFHKKDT-UHFFFAOYSA-N |
| Molecular Weight |
258.708 g/mol |
| SMILES |
C1=2C=C(C3=CC=C(C=C3)Cl)CN1C(N=C(C2)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961149 |
![6-(4-Chlorophenyl)-3-methylpyrrolo[1,2-c]pyrimidin-1(7H)-one](/api/spectrum/17VQA9TlftU/structure.png?h=300&w=458 "6-(4-Chlorophenyl)-3-methylpyrrolo[1,2-c]pyrimidin-1(7H)-one")
