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1-Isoquinolinecarbonitrile, 2-benzoyl-1,2-dihydro-1-methyl-
SpectraBase Compound ID ATHYQYyTqRY
InChI InChI=1S/C18H14N2O/c1-18(13-19)16-10-6-5-7-14(16)11-12-20(18)17(21)15-8-3-2-4-9-15/h2-12H,1H3
InChIKey IJAOQGGVUPPNCL-UHFFFAOYSA-N
Mol Weight 274.32 g/mol
Molecular Formula C18H14N2O
Exact Mass 274.110613 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FfbZtMRXe22
Name 1-Isoquinolinecarbonitrile, 2-benzoyl-1,2-dihydro-1-methyl-
Alternate Name(s) 2-Benzoyl-1-methyl-1,2-dihydro-1-isoquinolinecarbonitrile 1-Methyl-2-(phenylcarbonyl)isoquinoline-1-carbonitrile 2-Benzoyl-1-methyl-1-isoquinolinecarbonitrile 2-Benzoyl-1-methyl-isoquinoline-1-carbonitrile Isoquinaldonitrile, 2-benzoyl-1,2-dihydro-1-methyl-
CAS Registry Number 16576-32-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14N2O
InChI InChI=1S/C18H14N2O/c1-18(13-19)16-10-6-5-7-14(16)11-12-20(18)17(21)15-8-3-2-4-9-15/h2-12H,1H3
InChIKey IJAOQGGVUPPNCL-UHFFFAOYSA-N
Molecular Weight 274.323 g/mol
SMILES C(#N)C1(C)c2c(cccc2)C=CN1C(=O)c1ccccc1
SPLASH splash10-0a4i-2900000000-e3d6d68167372e6dd807
Source of Spectrum O-3-1076-8
Wiley ID 1278488