| SpectraBase Spectrum ID |
LFW0qlQBQOC |
| Name |
2-(2-Chloromethyl)-5H-6,7-dihydrocyclopenta[D]pyrimidin-4(3H)one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
198.055990681 u |
| Formula |
C9H11ClN2O |
| InChI |
InChI=1S/C9H11ClN2O/c10-5-8-11-7-4-2-1-3-6(7)9(13)12-8/h1-5H2,(H,11,12,13) |
| InChIKey |
YOEVSDYLLYABRV-UHFFFAOYSA-N |
| Molecular Weight |
198.653 g/mol |
| SMILES |
C1=2C(NC(=NC2CCCC1)CCl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.866663 |
![2-(2-Chloromethyl)-5H-6,7-dihydrocyclopenta[d]pyrimidin-4(3H)one](/api/spectrum/LFW0qlQBQOC/structure.png?h=300&w=458 "2-(2-Chloromethyl)-5H-6,7-dihydrocyclopenta[d]pyrimidin-4(3H)one")
