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3,6-Dihydro-1,5-dimethyl-3-phenyl-6-thioxo-1-pyrimidinium-4-olate
SpectraBase Compound ID IAd7JG77W7b
InChI InChI=1S/C12H12N2OS/c1-9-11(15)14(8-13(2)12(9)16)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKey UPDLZYPRYLOBDB-UHFFFAOYSA-N
Mol Weight 232.3 g/mol
Molecular Formula C12H12N2OS
Exact Mass 232.067034 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CO9qrLvN3KJ
Name 3,6-Dihydro-1,5-dimethyl-3-phenyl-6-thioxo-1-pyrimidinium-4-olate
CAS Registry Number 104910-68-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2OS
InChI InChI=1S/C12H12N2OS/c1-9-11(15)14(8-13(2)12(9)16)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKey UPDLZYPRYLOBDB-UHFFFAOYSA-N
Molecular Weight 232.301 g/mol
SMILES C1([N+](=CN(C(=C1C)[O-])c1ccccc1)C)=S
SPLASH splash10-0faj-7490000000-d0eea2eac473303e53ba
Source of Spectrum K-120-116-4
Synonyms 1,5-Dimethyl-3-phenyl-6-thioxo-3,6-dihydropyrimidin-1-ium-4-olate
Wiley ID 1233559