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3-Isopropyl-2-benzylthiopyrimidin-4-one
SpectraBase Compound ID KchwnSDKZof
InChI InChI=1S/C14H16N2OS/c1-11(2)16-13(17)8-9-15-14(16)18-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
InChIKey FIKKKULQJDCKPS-UHFFFAOYSA-N
Mol Weight 260.35 g/mol
Molecular Formula C14H16N2OS
Exact Mass 260.098334 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6gqNL3hJ79s
Name 3-Isopropyl-2-benzylthiopyrimidin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16N2OS
InChI InChI=1S/C14H16N2OS/c1-11(2)16-13(17)8-9-15-14(16)18-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
InChIKey FIKKKULQJDCKPS-UHFFFAOYSA-N
Molecular Weight 260.355 g/mol
SMILES C=1(N(C(C=CN1)=O)C(C)C)SCc1ccccc1
SPLASH splash10-014i-0900000000-967e4491417900361ea4
Source of Spectrum C5-2002-1835-19
Synonyms 2-(benzylsulfanyl)-3-isopropyl-4(3H)-pyrimidinone 3-Isopropyl-2-benzylthiopyrimidine-4-one 2-(Phenylmethylthio)-3-propan-2-yl-4-pyrimidinone 2-Benzylsulfanyl-3-propan-2-ylpyrimidin-4-one 2-Benzylsulfanyl-3-isopropyl-pyrimidin-4-one 2-(Phenylmethylsulfanyl)-3-propan-2-yl-pyrimidin-4-one
Wiley ID 1614973