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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

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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
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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3XiIbeHR0yz
Name (1S,2S,3R)-1,3-bis(4-Methoxyphenyl)-2-methyl-2,3-dihydro-1H-pyrido[2,1-B][1,3]benzoxazole-4-carbonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.178692638 u
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@](C3=CC=C(C=C3)OC)([H])[C@@]([C@](N1C1=CC=CC=C1O2)(C=1C=CC(=CC1)OC)[H])(C)[H])C#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.825088