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6-Hydroxy-2-[(2,3,4,5,6-pentafluorobenzyl)sulfanyl]-4(1H)-pyrimidinone
SpectraBase Compound ID C28vIlx5Fz4
InChI InChI=1S/C11H5F5N2O2S/c12-6-3(7(13)9(15)10(16)8(6)14)2-21-11-17-4(19)1-5(20)18-11/h1H,2H2,(H2,17,18,19,20)
InChIKey DKAJVMMNZRXVHN-UHFFFAOYSA-N
Mol Weight 324.23 g/mol
Molecular Formula C11H5F5N2O2S
Exact Mass 323.999189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2C8MOED4bCF
Name 6-Hydroxy-2-[(2,3,4,5,6-pentafluorobenzyl)sulfanyl]-4(1H)-pyrimidinone
CAS Registry Number 331950-87-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H5F5N2O2S
InChI InChI=1S/C11H5F5N2O2S/c12-6-3(7(13)9(15)10(16)8(6)14)2-21-11-17-4(19)1-5(20)18-11/h1H,2H2,(H2,17,18,19,20)
InChIKey DKAJVMMNZRXVHN-UHFFFAOYSA-N
Molecular Weight 324.225 g/mol
SMILES N1C(=CC(N=C1SCc1c(c(c(c(c1F)F)F)F)F)=O)O
SPLASH splash10-02hc-9712000000-d4a1136756b5c5a236f0
Source of Spectrum AD-0-2532-0
Synonyms 4-Hydroxy-2-[(2,3,4,5,6-pentafluorobenzyl)thio]-1H-pyrimidin-6-one 4-Hydroxy-2-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyl]-1H-pyrimidin-6-one 4-Hydroxy-2-[(2,3,4,5,6-pentafluorophenyl)methylthio]-1H-pyrimidin-6-one 4-Oxidanyl-2-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methylsulfanyl]-1H-pyrimidin-6-one Pyrimidin-4-one, 1,4-dihydro-6-hydroxy-2-pentafluorobenzylthio-
Wiley ID 1420282