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4(3H)-quinazolinone, 2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-3-ethyl-
SpectraBase Compound ID Jani5QJLDML
InChI InChI=1S/C18H15ClN2O2S/c1-2-21-17(23)14-5-3-4-6-15(14)20-18(21)24-11-16(22)12-7-9-13(19)10-8-12/h3-10H,2,11H2,1H3
InChIKey POTZYZPRYJDONS-UHFFFAOYSA-N
Mol Weight 358.84 g/mol
Molecular Formula C18H15ClN2O2S
Exact Mass 358.054277 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KnTeUf8A2wI
Name 4(3H)-Quinazolinone, 2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-3-ethyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.054276603 u
Formula C18H15ClN2O2S
InChI InChI=1S/C18H15ClN2O2S/c1-2-21-17(23)14-5-3-4-6-15(14)20-18(21)24-11-16(22)12-7-9-13(19)10-8-12/h3-10H,2,11H2,1H3
InChIKey POTZYZPRYJDONS-UHFFFAOYSA-N
Molecular Weight 358.843 g/mol
SMILES C1=CC=C2C(N(C(=NC2=C1)SCC(C1=CC=C(C=C1)Cl)=O)CC)=O