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2-(allylthio)-5-methyl-6-veratryl-1H-pyrimidin-4-one
SpectraBase Compound ID ClrYbKFf4Ko
InChI InChI=1S/C17H20N2O3S/c1-5-8-23-17-18-13(11(2)16(20)19-17)9-12-6-7-14(21-3)15(10-12)22-4/h5-7,10H,1,8-9H2,2-4H3,(H,18,19,20)
InChIKey JDWOTYXXUDFRLL-UHFFFAOYSA-N
Mol Weight 332.42 g/mol
Molecular Formula C17H20N2O3S
Exact Mass 332.119464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GaqiNzrAsm9
Name 2-(allylthio)-5-methyl-6-veratryl-1H-pyrimidin-4-one
Alternate Name(s) 2-Allylsulfanyl-6-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1H-pyrimidin-4-one 6-[(3,4-dimethoxyphenyl)methyl]-5-methyl-2-(prop-2-enylthio)-1H-pyrimidin-4-one 6-[(3,4-dimethoxyphenyl)methyl]-5-methyl-2-prop-2-enylsulfanyl-1H-pyrimidin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20N2O3S
InChI InChI=1S/C17H20N2O3S/c1-5-8-23-17-18-13(11(2)16(20)19-17)9-12-6-7-14(21-3)15(10-12)22-4/h5-7,10H,1,8-9H2,2-4H3,(H,18,19,20)
InChIKey JDWOTYXXUDFRLL-UHFFFAOYSA-N
Molecular Weight 332.418 g/mol
SMILES N1C(=NC(=C(C1=O)C)Cc1cc(OC)c(cc1)OC)SCC=C
SPLASH splash10-001i-0139000000-0ba12f5036f8ed2d84e0
Source of Spectrum SK-32-1373-6
Wiley ID 1548715