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(1S,2S,3R)-1,3-bis(4-methoxyphenyl)-2-methyl-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzoxazole-4-carbonitrile

View entire compound with spectra: 1 MS (GC)

(1S,2S,3R)-1,3-bis(4-methoxyphenyl)-2-methyl-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzoxazole-4-carbonitrile
SpectraBase Compound ID 8MR0OZccWyx
InChI InChI=1S/C27H24N2O3/c1-17-25(18-8-12-20(30-2)13-9-18)22(16-28)27-29(23-6-4-5-7-24(23)32-27)26(17)19-10-14-21(31-3)15-11-19/h4-15,17,25-26H,1-3H3/t17-,25+,26-/m0/s1
InChIKey AYCFJCPRGBAFCR-ZCXSQJBPSA-N
Mol Weight 424.5 g/mol
Molecular Formula C27H24N2O3
Exact Mass 424.178693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IX3Ep4rOdsq
Name (1S,2S,3R)-1,3-bis(4-methoxyphenyl)-2-methyl-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 C27H24N2O3
InChI InChI=1S/C27H24N2O3/c1-17-25(18-8-12-20(30-2)13-9-18)22(16-28)27-29(23-6-4-5-7-24(23)32-27)26(17)19-10-14-21(31-3)15-11-19/h4-15,17,25-26H,1-3H3/t17-,25+,26-/m0/s1
InChIKey AYCFJCPRGBAFCR-ZCXSQJBPSA-N
Molecular Weight 424.500 g/mol
SMILES C12=C([C@](c3ccc(cc3)OC)([H])[C@@]([C@](N1c1ccccc1O2)(c1ccc(cc1)OC)[H])(C)[H])C#N
SPLASH splash10-0002-0910300000-607f8b0a70ec4d310e50
Source of Spectrum KC-0-1766-13
Wiley ID 784025