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1-(3,3-dimethylbutyl)-3-methyl-6-(phenylthio)pyrimidine-2,4-dione
SpectraBase Compound ID C7vCsdyfxcY
InChI InChI=1S/C17H22N2O2S/c1-17(2,3)10-11-19-15(12-14(20)18(4)16(19)21)22-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3
InChIKey UFELKHNFOUUZAC-UHFFFAOYSA-N
Mol Weight 318.44 g/mol
Molecular Formula C17H22N2O2S
Exact Mass 318.140199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IbZkMQeb6eX
Name 1-(3,3-dimethylbutyl)-3-methyl-6-(phenylthio)pyrimidine-2,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N2O2S
InChI InChI=1S/C17H22N2O2S/c1-17(2,3)10-11-19-15(12-14(20)18(4)16(19)21)22-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3
InChIKey UFELKHNFOUUZAC-UHFFFAOYSA-N
Molecular Weight 318.435 g/mol
SMILES C1(N(C(=CC(N1C)=O)Sc1ccccc1)CCC(C)(C)C)=O
SPLASH splash10-014i-9401000000-80813eea624258d3d215
Source of Spectrum KC-0-3595-12
Synonyms 1-(3,3-dimethylbutyl)-3-methyl-6-(phenylthio)pyrimidine-2,4-quinone 1-(3,3-dimethylbutyl)-3-methyl-6-phenylsulfanyl-pyrimidine-2,4-dione
Wiley ID 824022