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2-[(2-Chlorobenzyl)sulfanyl]-6-methyl-5-propyl-4-pyrimidinol
SpectraBase Compound ID 3pDjZRLHrMr
InChI InChI=1S/C15H17ClN2OS/c1-3-6-12-10(2)17-15(18-14(12)19)20-9-11-7-4-5-8-13(11)16/h4-5,7-8H,3,6,9H2,1-2H3,(H,17,18,19)
InChIKey HJKTVTDSGDJTMS-UHFFFAOYSA-N
Mol Weight 308.83 g/mol
Molecular Formula C15H17ClN2OS
Exact Mass 308.075012 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6SursSz2z2f
Name 2-[(2-Chlorobenzyl)sulfanyl]-6-methyl-5-propyl-4-pyrimidinol
Alternate Name(s) 2-[(2-chlorobenzyl)thio]-6-methyl-5-propyl-1H-pyrimidin-4-one 2-[(2-chlorophenyl)methylsulfanyl]-6-methyl-5-propyl-1H-pyrimidin-4-one 2-[(2-chlorophenyl)methylthio]-6-methyl-5-propyl-1H-pyrimidin-4-one Pyrimidin-4-ol, 2-(2-chlorobenzylthio)-6-methyl-5-propyl-
CAS Registry Number 284680-31-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17ClN2OS
InChI InChI=1S/C15H17ClN2OS/c1-3-6-12-10(2)17-15(18-14(12)19)20-9-11-7-4-5-8-13(11)16/h4-5,7-8H,3,6,9H2,1-2H3,(H,17,18,19)
InChIKey HJKTVTDSGDJTMS-UHFFFAOYSA-N
Molecular Weight 308.827 g/mol
SMILES Oc1nc(nc(C)c1CCC)SCc1c(Cl)cccc1
SPLASH splash10-004i-3943000000-e07b221b5307cb1c413d
Source of Spectrum AD-0-2532-0
Wiley ID 1429869