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(2S,3S)-3-benzyl-2-(4-methoxyphenyl)-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-4(3H)-one
SpectraBase Compound ID DYhEDPbjPHF
InChI InChI=1S/C24H20N2O2S/c1-28-18-13-11-17(12-14-18)22-19(15-16-7-3-2-4-8-16)23(27)26-20-9-5-6-10-21(20)29-24(26)25-22/h2-14,19,22H,15H2,1H3/t19-,22+/m0/s1
InChIKey ZJQQTASRVKUBPL-SIKLNZKXSA-N
Mol Weight 400.5 g/mol
Molecular Formula C24H20N2O2S
Exact Mass 400.124549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1toRxdtIdUc
Name (2S,3S)-3-benzyl-2-(4-methoxyphenyl)-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-4(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H20N2O2S
InChI InChI=1S/C24H20N2O2S/c1-28-18-13-11-17(12-14-18)22-19(15-16-7-3-2-4-8-16)23(27)26-20-9-5-6-10-21(20)29-24(26)25-22/h2-14,19,22H,15H2,1H3/t19-,22+/m0/s1
InChIKey ZJQQTASRVKUBPL-SIKLNZKXSA-N
Literature Reference DOI 10.1039/c4cc08594a
Molecular Weight 400.496 g/mol
SMILES c1ccc2SC=3N(c2c1)C(=O)[C@@](Cc1ccccc1)([C@@](c1ccc(cc1)OC)(N3)[H])[H]
SPLASH splash10-014r-2491100000-d26dce190a599402a680
Source of Spectrum KD-51-1263/SM-3c
Wiley ID 1754948