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2-(benzylthio)-1H-pyrimidin-6-one
SpectraBase Compound ID IZOH8I3WcEV
InChI InChI=1S/C11H10N2OS/c14-10-6-7-12-11(13-10)15-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13,14)
InChIKey XLYQVVDCFZRIJB-UHFFFAOYSA-N
Mol Weight 218.27 g/mol
Molecular Formula C11H10N2OS
Exact Mass 218.051384 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JTtVnrpGThD
Name 2-(benzylthio)-1H-pyrimidin-6-one
Alternate Name(s) 2-(Benzylthio)pyrimidine-4(3H)-one 2-(Phenylmethylthio)-1H-pyrimidin-6-one 2-(Phenylmethylsulfanyl)-1H-pyrimidin-6-one 2-Benzylsulfanyl-1H-pyrimidin-6-one
CAS Registry Number 31167-21-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H10N2OS
InChI InChI=1S/C11H10N2OS/c14-10-6-7-12-11(13-10)15-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13,14)
InChIKey XLYQVVDCFZRIJB-UHFFFAOYSA-N
Molecular Weight 218.274 g/mol
SMILES N1C(C=CN=C1SCc1ccccc1)=O
SPLASH splash10-014i-2490000000-00fec62519da1ca18bd8
Source of Spectrum F2-46-741-5d
Wiley ID 1690030