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3-[4'-Phenyoxazolin-2'-yl]-1-(naphthalen-1""""-yl)isoquinoline

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3-[4'-Phenyoxazolin-2'-yl]-1-(naphthalen-1""""-yl)isoquinoline
SpectraBase Compound ID 2CJgkyH3P7g
InChI InChI=1S/C28H20N2O/c1-2-10-20(11-3-1)26-18-31-28(30-26)25-17-21-12-5-7-15-23(21)27(29-25)24-16-8-13-19-9-4-6-14-22(19)24/h1-17,26H,18H2/t26-/m1/s1
InChIKey NOPNPYQCKCLCLA-AREMUKBSSA-N
Mol Weight 400.48 g/mol
Molecular Formula C28H20N2O
Exact Mass 400.157563 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FsfYuw1zDR1
Name 3-[4'-Phenyoxazolin-2'-yl]-1-(naphthalen-1""""-yl)isoquinoline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.157563271 u
Formula C28H20N2O
InChI InChI=1S/C28H20N2O/c1-2-10-20(11-3-1)26-18-31-28(30-26)25-17-21-12-5-7-15-23(21)27(29-25)24-16-8-13-19-9-4-6-14-22(19)24/h1-17,26H,18H2/t26-/m1/s1
InChIKey NOPNPYQCKCLCLA-AREMUKBSSA-N
Molecular Weight 400.481 g/mol
SMILES C1(=NC(C2=N[C@@](C3=CC=CC=C3)(CO2)[H])=CC=2C1=CC=CC2)C=1C=2C(=CC=CC2)C=CC1