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2-(Dodecylthio)-4-(2-methoxyphenyl)-6-phenyl-3-pyridinecarbonitrile

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2-(Dodecylthio)-4-(2-methoxyphenyl)-6-phenyl-3-pyridinecarbonitrile
SpectraBase Compound ID EbSmO3fKpG9
InChI InChI=1S/C31H38N2OS/c1-3-4-5-6-7-8-9-10-11-17-22-35-31-28(24-32)27(26-20-15-16-21-30(26)34-2)23-29(33-31)25-18-13-12-14-19-25/h12-16,18-21,23H,3-11,17,22H2,1-2H3
InChIKey GDSMBTPDBQTVQX-UHFFFAOYSA-N
Mol Weight 486.7 g/mol
Molecular Formula C31H38N2OS
Exact Mass 486.270485 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LNRwk9LxTj3
Name 2-(Dodecylthio)-4-(2-methoxyphenyl)-6-phenyl-3-pyridinecarbonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 486.270485025 u
Formula C31H38N2OS
InChI InChI=1S/C31H38N2OS/c1-3-4-5-6-7-8-9-10-11-17-22-35-31-28(24-32)27(26-20-15-16-21-30(26)34-2)23-29(33-31)25-18-13-12-14-19-25/h12-16,18-21,23H,3-11,17,22H2,1-2H3
InChIKey GDSMBTPDBQTVQX-UHFFFAOYSA-N
Molecular Weight 486.718 g/mol
SMILES C=1(C(=CC(=NC1SCCCCCCCCCCCC)C=1C=CC=CC1)C=1C(OC)=CC=CC1)C#N