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Quinazolin-4(3H)-one, 2-[2-(4-bromophenyl-2-oxoethylthio]-

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Quinazolin-4(3H)-one, 2-[2-(4-bromophenyl-2-oxoethylthio]-
SpectraBase Compound ID CLjPCyat0B3
InChI InChI=1S/C16H11BrN2O2S/c17-11-7-5-10(6-8-11)14(20)9-22-16-18-13-4-2-1-3-12(13)15(21)19-16/h1-8H,9H2,(H,18,19,21)
InChIKey HDWXIIKIWBTLCV-UHFFFAOYSA-N
Mol Weight 375.24 g/mol
Molecular Formula C16H11BrN2O2S
Exact Mass 373.972462 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H8TT0otOPze
Name Quinazolin-4(3H)-one, 2-[2-(4-bromophenyl-2-oxoethylthio]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 373.972461774 u
Formula C16H11BrN2O2S
InChI InChI=1S/C16H11BrN2O2S/c17-11-7-5-10(6-8-11)14(20)9-22-16-18-13-4-2-1-3-12(13)15(21)19-16/h1-8H,9H2,(H,18,19,21)
InChIKey HDWXIIKIWBTLCV-UHFFFAOYSA-N
Molecular Weight 375.240 g/mol
SMILES C1=CC=C2C(NC(=NC2=C1)SCC(C1=CC=C(C=C1)Br)=O)=O