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6-Ethyl-5-[4-phenylmethyl]-1-piperazinyl-2,4(1H,3H)-pyrimidinedione
SpectraBase Compound ID HSNCbxIXj5F
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
Mol Weight 314.39 g/mol
Molecular Formula C17H22N4O2
Exact Mass 314.174276 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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