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(9E)-9-(4-chlorobenzylidene)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazoline

View entire compound with spectra: 2 NMR, and 1 MS (GC)

(9E)-9-(4-chlorobenzylidene)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazoline
SpectraBase Compound ID GeFdkyqu8BW
InChI InChI=1S/C30H24Cl2N2OS/c1-35-25-15-9-20(10-16-25)27-18-36-30-33-28-22(17-19-5-11-23(31)12-6-19)3-2-4-26(28)29(34(27)30)21-7-13-24(32)14-8-21/h5-18,29H,2-4H2,1H3/b22-17+
InChIKey HYMKTPVWBNBJPT-OQKWZONESA-N
Mol Weight 531.5 g/mol
Molecular Formula C30H24Cl2N2OS
Exact Mass 530.09864 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EsIIZUTWc7N
Name (9E)-5-(4-Chlorophenyl)-9-[(4-chlorophenyl)methylene]-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrothiazolo[2,3-B]quinazoline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 530.098639974 u
Formula C30H24Cl2N2OS
InChI InChI=1S/C30H24Cl2N2OS/c1-35-25-15-9-20(10-16-25)27-18-36-30-33-28-22(17-19-5-11-23(31)12-6-19)3-2-4-26(28)29(34(27)30)21-7-13-24(32)14-8-21/h5-18,29H,2-4H2,1H3/b22-17+
InChIKey HYMKTPVWBNBJPT-OQKWZONESA-N
Molecular Weight 531.501 g/mol
SMILES COC=1C=CC(C=2N3C(C=4CCC\C(C4N=C3SC2)=C/C=2C=CC(=CC2)Cl)C2=CC=C(C=C2)Cl)=CC1