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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LvWgo8lGiob
Name 2-Benzoyl-6-methoxy-7-phenylmethoxy-1H-isoquinoline-1-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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=Cc2cc(c(cc12)OCc1ccccc1)OC)C(c1ccccc1)=O)C#N
SPLASH splash10-0006-9210000000-27e4ab36b83f8c42a411
Source of Spectrum D8-326-256-16
Synonyms 2-Benzoyl-7-benzyloxy-6-methoxy-1H-isoquinoline-1-carbonitrile 6-Methoxy-2-(phenylcarbonyl)-7-phenylmethoxy-1H-isoquinoline-1-carbonitrile 7-Benzoxy-2-benzoyl-6-methoxy-1H-isoquinoline-1-carbonitrile
Wiley ID 1514732