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3-(4-Chlorophenyl)-2-mercapto-4(3H)-quinazolinone, tms derivative

View entire compound with spectra: 1 NMR

3-(4-Chlorophenyl)-2-mercapto-4(3H)-quinazolinone, tms derivative
SpectraBase Compound ID 8VyvDXonjrv
InChI InChI=1S/C17H17ClN2OSSi/c1-23(2,3)22-17-19-15-7-5-4-6-14(15)16(21)20(17)13-10-8-12(18)9-11-13/h4-11H,1-3H3
InChIKey WCEVQHBGMLGAIP-UHFFFAOYSA-N
Mol Weight 360.93 g/mol
Molecular Formula C17H17ClN2OSSi
Exact Mass 360.051939 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Js2YNdsQAsL
Name 3-(4-Chlorophenyl)-2-mercapto-4(3H)-quinazolinone, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 360.051938583 u
Formula C17H17ClN2OSSi
InChI InChI=1S/C17H17ClN2OSSi/c1-23(2,3)22-17-19-15-7-5-4-6-14(15)16(21)20(17)13-10-8-12(18)9-11-13/h4-11H,1-3H3
InChIKey WCEVQHBGMLGAIP-UHFFFAOYSA-N
Molecular Weight 360.934 g/mol
SMILES C=1(N(C(C=2C(N1)=CC=CC2)=O)C1=CC=C(C=C1)Cl)S[Si](C)(C)C