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(1S,2S,3R)-1-(4-methoxyphenyl)-2-methyl-3-(4-methylphenyl)-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzoxazole-4-carbonitrile
SpectraBase Compound ID HTVuV1I0IFB
InChI InChI=1S/C27H24N2O2/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-/m0/s1
InChIKey HTBBAYFUVUGYQR-IMDCKVJKSA-N
Mol Weight 408.5 g/mol
Molecular Formula C27H24N2O2
Exact Mass 408.183778 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I43Z288NldY
Name (1S,2S,3R)-1-(4-methoxyphenyl)-2-methyl-3-(4-methylphenyl)-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzoxazole-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H24N2O2
InChI InChI=1S/C27H24N2O2/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-/m0/s1
InChIKey HTBBAYFUVUGYQR-IMDCKVJKSA-N
Molecular Weight 408.501 g/mol
SMILES C12=C([C@](c3ccc(cc3)C)([H])[C@@]([C@](N1c1ccccc1O2)(c1ccc(cc1)OC)[H])(C)[H])C#N
SPLASH splash10-0a4i-0440900000-f218eae6c869920e35c8
Source of Spectrum KC-0-1766-13
Wiley ID 784024