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4-Keto-6-propyl-2-thioxo-1H-pyrimidine-5-carbonitrile
SpectraBase Compound ID AR6dWbNbj94
InChI InChI=1S/C8H9N3OS/c1-2-3-6-5(4-9)7(12)11-8(13)10-6/h2-3H2,1H3,(H2,10,11,12,13)
InChIKey BETUEMGGSALGFH-UHFFFAOYSA-N
Mol Weight 195.24 g/mol
Molecular Formula C8H9N3OS
Exact Mass 195.046633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Q38k9vk9Yg
Name 4-Keto-6-propyl-2-thioxo-1H-pyrimidine-5-carbonitrile
Alternate Name(s) 4-Oxidanylidene-6-propyl-2-sulfanylidene-1H-pyrimidine-5-carbonitrile 1,2,3,4-Tetrahydro-4-oxo-6-propyl-2-thioxo-5-pyrimidinecarbonitrile 4-Oxo-6-propyl-2-sulfanylidene-1H-pyrimidine-5-carbonitrile 4-Oxo-6-propyl-2-thioxo-1H-pyrimidine-5-carbonitrile 4-Oxo-6-propyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9N3OS
InChI InChI=1S/C8H9N3OS/c1-2-3-6-5(4-9)7(12)11-8(13)10-6/h2-3H2,1H3,(H2,10,11,12,13)
InChIKey BETUEMGGSALGFH-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo401193e
Molecular Weight 195.240 g/mol
SMILES N1C(=S)NC(C(C#N)=C1CCC)=O
SPLASH splash10-0002-0900000000-f8c6fe6b79e1d0bba1c2
Source of Spectrum J-78-7997-5e
Wiley ID 1745714