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3-[o-(2,4-dichlorophenoxy)phenyl]-2-thio-2,4(1H,3H)-quinazolinedione

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

3-[o-(2,4-dichlorophenoxy)phenyl]-2-thio-2,4(1H,3H)-quinazolinedione
SpectraBase Compound ID HnCdcNrEDOE
InChI InChI=1S/C20H12Cl2N2O2S/c21-12-9-10-17(14(22)11-12)26-18-8-4-3-7-16(18)24-19(25)13-5-1-2-6-15(13)23-20(24)27/h1-11H,(H,23,27)
InChIKey JUFKWLKUQJYHKY-UHFFFAOYSA-N
Mol Weight 415.29 g/mol
Molecular Formula C20H12Cl2N2O2S
Exact Mass 413.999654 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7JBNvG1MGLr
Name 3-[o-(2,4-Dichlorophenoxy)phenyl]-2-thio-2,4(1H,3H)-quinazolinedione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 413.999654206 u
Formula C20H12Cl2N2O2S
InChI InChI=1S/C20H12Cl2N2O2S/c21-12-9-10-17(14(22)11-12)26-18-8-4-3-7-16(18)24-19(25)13-5-1-2-6-15(13)23-20(24)27/h1-11H,(H,23,27)
InChIKey JUFKWLKUQJYHKY-UHFFFAOYSA-N
Molecular Weight 415.294 g/mol
SMILES N1C=2C=CC=CC2C(N(C1=S)C=1C(=CC=CC1)OC=1C=CC(=CC1Cl)Cl)=O