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1,2,3,4-Tetrahydro-6-isopropyl-4-oxo-2-thioxo-5-pyrimidinecarbonitrile
SpectraBase Compound ID I2VOMLREviG
InChI InChI=1S/C8H9N3OS/c1-4(2)6-5(3-9)7(12)11-8(13)10-6/h4H,1-2H3,(H2,10,11,12,13)
InChIKey UNKXRBUGRKJMJA-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 4ziZBn8t28
Name 1,2,3,4-Tetrahydro-6-isopropyl-4-oxo-2-thioxo-5-pyrimidinecarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9N3OS
InChI InChI=1S/C8H9N3OS/c1-4(2)6-5(3-9)7(12)11-8(13)10-6/h4H,1-2H3,(H2,10,11,12,13)
InChIKey UNKXRBUGRKJMJA-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo401193e
Molecular Weight 195.240 g/mol
SMILES N1C(=S)NC(C(C#N)=C1C(C)C)=O
SPLASH splash10-0002-0900000000-f8c6fe6b79e1d0bba1c2
Source of Spectrum J-78-7997-5f
Synonyms 6-Isopropyl-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile 4-Oxo-6-propan-2-yl-2-sulfanylidene-1H-pyrimidine-5-carbonitrile 6-Isopropyl-4-oxo-2-thioxo-1H-pyrimidine-5-carbonitrile 4-Oxidanylidene-6-propan-2-yl-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
Wiley ID 1745715