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5,7-Diethoxy-6-methyl-8-phenylmethoxy-1-isoquinolinecarbonitrile
SpectraBase Compound ID 74OgiiZ89cF
InChI InChI=1S/C22H22N2O3/c1-4-25-20-15(3)21(26-5-2)22(27-14-16-9-7-6-8-10-16)19-17(20)11-12-24-18(19)13-23/h6-12H,4-5,14H2,1-3H3
InChIKey SVFPMZQKJIZRNN-UHFFFAOYSA-N
Mol Weight 362.43 g/mol
Molecular Formula C22H22N2O3
Exact Mass 362.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ITyjQ63IoD7
Name 5,7-Diethoxy-6-methyl-8-phenylmethoxy-1-isoquinolinecarbonitrile
Alternate Name(s) 5,7-Diethoxy-6-methyl-8-phenylmethoxy-isoquinoline-1-carbonitrile 8-Benzoxy-5,7-diethoxy-6-methyl-isoquinoline-1-carbonitrile 8-Benzyloxy-5,7-diethoxy-6-methyl-isoquinoline-1-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N2O3
InChI InChI=1S/C22H22N2O3/c1-4-25-20-15(3)21(26-5-2)22(27-14-16-9-7-6-8-10-16)19-17(20)11-12-24-18(19)13-23/h6-12H,4-5,14H2,1-3H3
InChIKey SVFPMZQKJIZRNN-UHFFFAOYSA-N
Molecular Weight 362.429 g/mol
SMILES c1(nccc2c(c(c(c(c12)OCc1ccccc1)OCC)C)OCC)C#N
SPLASH splash10-02tc-3194000000-5775540ccc7e60505c9d
Source of Spectrum O1-63-2359-14
Wiley ID 1592911