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(2S,3S)-3-benzyl-2-(4-chlorophenyl)-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-4(3H)-one
SpectraBase Compound ID 2VSmRuENTHw
InChI InChI=1S/C23H17ClN2OS/c24-17-12-10-16(11-13-17)21-18(14-15-6-2-1-3-7-15)22(27)26-19-8-4-5-9-20(19)28-23(26)25-21/h1-13,18,21H,14H2/t18-,21+/m0/s1
InChIKey CXNYGIQXCURWID-GHTZIAJQSA-N
Mol Weight 404.92 g/mol
Molecular Formula C23H17ClN2OS
Exact Mass 404.075012 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ypRcZ2fljn
Name (2S,3S)-3-benzyl-2-(4-chlorophenyl)-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-4(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H17ClN2OS
InChI InChI=1S/C23H17ClN2OS/c24-17-12-10-16(11-13-17)21-18(14-15-6-2-1-3-7-15)22(27)26-19-8-4-5-9-20(19)28-23(26)25-21/h1-13,18,21H,14H2/t18-,21+/m0/s1
InChIKey CXNYGIQXCURWID-GHTZIAJQSA-N
Literature Reference DOI 10.1039/c4cc08594a
Molecular Weight 404.915 g/mol
SMILES c1ccc2SC=3N(c2c1)C([C@@](Cc1ccccc1)([C@@](c1ccc(cc1)Cl)(N3)[H])[H])=O
SPLASH splash10-00di-3191600000-a35c803726718dfade95
Source of Spectrum KD-51-1263/SM-3e
Wiley ID 1754950