| SpectraBase Spectrum ID |
8t1ImUY0Ph7 |
| Name |
1H-Cyclopentapyrimidine-2,4(3H,4ah)-dione, 3-(2-chlorophenyl)tetrahydro-, cis- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
264.066555365 u |
| Formula |
C13H13ClN2O2 |
| InChI |
InChI=1S/C13H13ClN2O2/c14-9-5-1-2-7-11(9)16-12(17)8-4-3-6-10(8)15-13(16)18/h1-2,5,7-8,10H,3-4,6H2,(H,15,18)/t8-,10+/m0/s1 |
| InChIKey |
GXWWGJGWNCIXKZ-WCBMZHEXSA-N |
| SMILES |
C1(N(C([C@@]2([C@](N1)(CCC2)[H])[H])=O)C=1C(Cl)=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897377 |
