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(1R*,2R*,3S*)-1-(4-Methoyphenyl)-2-methyl-3-phenyl-2,3-dihydro-1H-pyrido[2,1-b]benzothiazole-4-carbonitrile
SpectraBase Compound ID IIUvKKYYxLJ
InChI InChI=1S/C26H22N2OS/c1-17-24(18-8-4-3-5-9-18)21(16-27)26-28(22-10-6-7-11-23(22)30-26)25(17)19-12-14-20(29-2)15-13-19/h3-15,17,24-25H,1-2H3/t17-,24+,25-/m1/s1
InChIKey FADLDEYXBIMVKE-HCOMASKESA-N
Mol Weight 410.54 g/mol
Molecular Formula C26H22N2OS
Exact Mass 410.145285 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7nMe4JhD3Cv
Name (1R*,2R*,3S*)-1-(4-Methoyphenyl)-2-methyl-3-phenyl-2,3-dihydro-1H-pyrido[2,1-b]benzothiazole-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H22N2OS
InChI InChI=1S/C26H22N2OS/c1-17-24(18-8-4-3-5-9-18)21(16-27)26-28(22-10-6-7-11-23(22)30-26)25(17)19-12-14-20(29-2)15-13-19/h3-15,17,24-25H,1-2H3/t17-,24+,25-/m1/s1
InChIKey FADLDEYXBIMVKE-HCOMASKESA-N
Molecular Weight 410.535 g/mol
SMILES C12=C([C@](c3ccccc3)([C@]([C@@](N1c1ccccc1S2)(c1ccc(cc1)OC)[H])(C)[H])[H])C#N
SPLASH splash10-0002-0910100000-1802634a085dd9f3e852
Source of Spectrum KC-0-1765-12
Wiley ID 784027