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2-mercapto-4(3H)-quinazolinone

View entire compound with spectra: 6 NMR, 3 FTIR, 1 Raman, 2 UV-Vis, and 4 MS (GC)

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) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6ynw4TEIkbI
Name 2-Mercapto-4(3H)-quinazolinone
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 158828
CAS Registry Number 13906-09-7
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. 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
Observed nucleus 13C
Purity 97%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_001803