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2-(4-Chlorostyryl)-2,3-dihydro-2-phenyl-3-phenylacetyl-benzothiazole

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2-(4-Chlorostyryl)-2,3-dihydro-2-phenyl-3-phenylacetyl-benzothiazole
SpectraBase Compound ID Lsk0CcJUuyu
InChI InChI=1S/C29H22ClNOS/c30-25-17-15-22(16-18-25)19-20-29(24-11-5-2-6-12-24)31(26-13-7-8-14-27(26)33-29)28(32)21-23-9-3-1-4-10-23/h1-20H,21H2/b20-19+
InChIKey BWNVELWDUPHXIY-FMQUCBEESA-N
Mol Weight 468.01 g/mol
Molecular Formula C29H22ClNOS
Exact Mass 467.111063 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ICS6Pi1jeQW
Name 2-(4-Chlorostyryl)-2,3-dihydro-2-phenyl-3-phenylacetyl-benzothiazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 467.111063205 u
Formula C29H22ClNOS
InChI InChI=1S/C29H22ClNOS/c30-25-17-15-22(16-18-25)19-20-29(24-11-5-2-6-12-24)31(26-13-7-8-14-27(26)33-29)28(32)21-23-9-3-1-4-10-23/h1-20H,21H2/b20-19+
InChIKey BWNVELWDUPHXIY-FMQUCBEESA-N
Molecular Weight 468.014 g/mol
SMILES C1(SC=2C(N1C(=O)CC=1C=CC=CC1)=CC=CC2)(C=1C=CC=CC1)\C=C\C=1C=CC(=CC1)Cl