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2-Benzoyl-6-methoxy-7-phenylmethoxy-1H-isoquinoline-1-carbonitrile

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-Benzoyl-6-methoxy-7-phenylmethoxy-1H-isoquinoline-1-carbonitrile
SpectraBase Compound ID Dt1MaD49lm6
InChI InChI=1S/C25H20N2O3/c1-29-23-14-20-12-13-27(25(28)19-10-6-3-7-11-19)22(16-26)21(20)15-24(23)30-17-18-8-4-2-5-9-18/h2-15,22H,17H2,1H3
InChIKey AGRKTDHVKYYTNC-UHFFFAOYSA-N
Mol Weight 396.45 g/mol
Molecular Formula C25H20N2O3
Exact Mass 396.147393 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JbympOdmHJG
Name 2-Benzoyl-6-methoxy-7-phenylmethoxy-1H-isoquinoline-1-carbonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.147392509 u
Formula C25H20N2O3
InChI InChI=1S/C25H20N2O3/c1-29-23-14-20-12-13-27(25(28)19-10-6-3-7-11-19)22(16-26)21(20)15-24(23)30-17-18-8-4-2-5-9-18/h2-15,22H,17H2,1H3
InChIKey AGRKTDHVKYYTNC-UHFFFAOYSA-N
Molecular Weight 396.446 g/mol
SMILES C1(N(C=CC=2C=C(C(=CC12)OCC=1C=CC=CC1)OC)C(C=1C=CC=CC1)=O)C#N