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4-Butyl-6-methylthiouracil

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-Butyl-6-methylthiouracil
SpectraBase Compound ID Cygv8XzEmSo
InChI InChI=1S/C9H14N2OS/c1-3-4-5-13-8-6-7(2)10-9(12)11-8/h6H,3-5H2,1-2H3,(H,10,11,12)
InChIKey ABQIYHKZBJZMKT-UHFFFAOYSA-N
Mol Weight 198.28 g/mol
Molecular Formula C9H14N2OS
Exact Mass 198.082684 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5XjPuF4UW70
Name 4-(Butylsulfanyl)-6-methyl-2(1H)-pyrimidinone
CAS Registry Number 67914-04-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14N2OS
InChI InChI=1S/C9H14N2OS/c1-3-4-5-13-8-6-7(2)10-9(12)11-8/h6H,3-5H2,1-2H3,(H,10,11,12)
InChIKey ABQIYHKZBJZMKT-UHFFFAOYSA-N
Molecular Weight 198.284 g/mol
SMILES N1C(N=C(C=C1C)SCCCC)=O
SPLASH splash10-052f-0900000000-57137698ce1ed478f0d8
Source of Spectrum W5-1989-9894-1
Synonyms 4-(butylthio)-6-methyl-1H-pyrimidin-2-one 4-Butyl-6-methylthiouracil 4-Butylsulfanyl-6-methyl-1H-pyrimidin-2-one
Wiley ID 1195050