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2-{[3-([1,1'-Biphenyl]-2-yloxy)-2-hydroxypropyl]sulfanyl}-4,6-diphenylnicotinonitrile

View entire compound with spectra: 2 NMR

2-{[3-([1,1'-Biphenyl]-2-yloxy)-2-hydroxypropyl]sulfanyl}-4,6-diphenylnicotinonitrile
SpectraBase Compound ID 2uG7P3HQzQr
InChI InChI=1S/C33H26N2O2S/c34-21-30-29(25-14-6-2-7-15-25)20-31(26-16-8-3-9-17-26)35-33(30)38-23-27(36)22-37-32-19-11-10-18-28(32)24-12-4-1-5-13-24/h1-20,27,36H,22-23H2
InChIKey UBICWCMSBMFDNO-UHFFFAOYSA-N
Mol Weight 514.6 g/mol
Molecular Formula C33H26N2O2S
Exact Mass 514.171499 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GDhg9gtfqmL
Name 2-{[3-([1,1'-Biphenyl]-2-yloxy)-2-hydroxypropyl]sulfanyl}-4,6-diphenylnicotinonitrile
Comments Computed using HOSE algorithm
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Exact Mass 514.171499257 u
Formula C33H26N2O2S
InChI InChI=1S/C33H26N2O2S/c34-21-30-29(25-14-6-2-7-15-25)20-31(26-16-8-3-9-17-26)35-33(30)38-23-27(36)22-37-32-19-11-10-18-28(32)24-12-4-1-5-13-24/h1-20,27,36H,22-23H2
InChIKey UBICWCMSBMFDNO-UHFFFAOYSA-N
Molecular Weight 514.643 g/mol
SMILES OC(CSC=1C(=C(C=C(C=2C=CC=CC2)N1)C1=CC=CC=C1)C#N)COC=1C(C=2C=CC=CC2)=CC=CC1