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2-mercapto-4(3H)-quinazolinone
SpectraBase Compound ID HRDRkKBWoaf
InChI InChI=1S/C8H6N2OS/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12)
InChIKey PUPFOFVEHDNUJU-UHFFFAOYSA-N
Mol Weight 178.21 g/mol
Molecular Formula C8H6N2OS
Exact Mass 178.020084 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KHu365lopcK
Name 4-(1H)-QUINAZOLINONE-2,3-DIHYDRO-2-THIOXO
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H6N2OS
InChI InChI=1S/C8H6N2OS/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12)
InChIKey PUPFOFVEHDNUJU-UHFFFAOYSA-N
Literature Reference Author F.J.MARTINEZ-MARTINEZ,A.ARIZA-CASTOLO,V.RAMOS-NAVA,N.BARBA-B EHRENS,R.CONTRERAS
Literature Reference Citation MAGN.RES.CHEM.,31,832(1993)
Literature Reference DOI 10.1002/mrc.1260310908
Molecular Weight 178.208 g/mol
Solvent SOLIDSTATE
Source File Reference UWSK3095