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3,5-bis(Chloranyl)-6-methyl-1-(5-phenylselanylpentyl)pyrazin-2-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3,5-bis(Chloranyl)-6-methyl-1-(5-phenylselanylpentyl)pyrazin-2-one
SpectraBase Compound ID HcfbS97sYjT
InChI InChI=1S/C16H18Cl2N2OSe/c1-12-14(17)19-15(18)16(21)20(12)10-6-3-7-11-22-13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-11H2,1H3
InChIKey BGBGQDUGUDZOLV-UHFFFAOYSA-N
Mol Weight 404.21 g/mol
Molecular Formula C16H18Cl2N2OSe
Exact Mass 403.996141 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3ifAsQcCSzj
Name 3,5-bis(Chloranyl)-6-methyl-1-(5-phenylselanylpentyl)pyrazin-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 403.996140607 u
Formula C16H18Cl2N2OSe
InChI InChI=1S/C16H18Cl2N2OSe/c1-12-14(17)19-15(18)16(21)20(12)10-6-3-7-11-22-13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-11H2,1H3
InChIKey BGBGQDUGUDZOLV-UHFFFAOYSA-N
Molecular Weight 404.211 g/mol
SMILES C=1(N=C(C(N(C1C)CCCCC[Se]C1=CC=CC=C1)=O)Cl)Cl