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(1R*,2R*,3S*)-1-(4-Methoyphenyl)-2-methyl-3-(p-tolyl)-2,3-dihydro-1H-pyrido[2,1-b]benzothiazole-4-carbonitrile
SpectraBase Compound ID BSkURgl49Mg
InChI InChI=1S/C27H24N2OS/c1-17-8-10-19(11-9-17)25-18(2)26(20-12-14-21(30-3)15-13-20)29-23-6-4-5-7-24(23)31-27(29)22(25)16-28/h4-15,18,25-26H,1-3H3/t18-,25+,26-/m1/s1
InChIKey YGQCBTLAIHZTMR-YKQNXRHISA-N
Mol Weight 424.56 g/mol
Molecular Formula C27H24N2OS
Exact Mass 424.160935 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HUN8fWJpq4p
Name (1R*,2R*,3S*)-1-(4-Methoyphenyl)-2-methyl-3-(p-tolyl)-2,3-dihydro-1H-pyrido[2,1-b]benzothiazole-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H24N2OS
InChI InChI=1S/C27H24N2OS/c1-17-8-10-19(11-9-17)25-18(2)26(20-12-14-21(30-3)15-13-20)29-23-6-4-5-7-24(23)31-27(29)22(25)16-28/h4-15,18,25-26H,1-3H3/t18-,25+,26-/m1/s1
InChIKey YGQCBTLAIHZTMR-YKQNXRHISA-N
Molecular Weight 424.562 g/mol
SMILES C12=C([C@](c3ccc(cc3)C)([C@]([C@@](N1c1ccccc1S2)(c1ccc(cc1)OC)[H])(C)[H])[H])C#N
SPLASH splash10-0002-0900500000-d8486b6f30ee5f1d3bb5
Source of Spectrum KC-0-1765-12
Wiley ID 784028