SpectraBase Spectrum ID |
Ksho19nyRzs |
Name |
6-Ethyl-5-[4-phenylmethyl]-1-piperazinyl-2,4(1H,3H)-pyrimidinedione |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
314.174275962 u |
Formula |
C17H22N4O2 |
InChI |
InChI=1S/C17H22N4O2/c1-2-14-15(16(22)19-17(23)18-14)21-10-8-20(9-11-21)12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H2,18,19,22,23) |
InChIKey |
OVGGYPMEPRBIIU-UHFFFAOYSA-N |
Molecular Weight |
314.389 g/mol |
SMILES |
C1(NC(C(=C(N1)CC)N1CCN(CC1)CC1=CC=CC=C1)=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967 |