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2-acetyl-1,2-dihydroisoquinaldonitrile
SpectraBase Compound ID ATvPSW284W6
InChI InChI=1S/C12H10N2O/c1-9(15)14-7-6-10-4-2-3-5-11(10)12(14)8-13/h2-7,12H,1H3
InChIKey CJWDCOSZJPAVOA-UHFFFAOYSA-N
Mol Weight 198.22 g/mol
Molecular Formula C12H10N2O
Exact Mass 198.079313 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DpQBZp9KZXd
Name 1-Isoquinolinecarbonitrile, 2-acetyl-1,2-dihydro-
Alternate Name(s) 2-Acetyl-1,2-dihydro-1-isoquinolinecarbonitrile 2-Acetyl-1,2-dihydroisoquinaldonitrile 2-Acetyl-1-cyano-1,2-dihydroisoquinoline 2-Acetyl-1H-isoquinoline-1-carbonitrile 2-Ethanoyl-1H-isoquinoline-1-carbonitrile Isoquinaldonitrile, 2-acetyl-1,2-dihydro-
CAS Registry Number 29924-67-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10N2O
InChI InChI=1S/C12H10N2O/c1-9(15)14-7-6-10-4-2-3-5-11(10)12(14)8-13/h2-7,12H,1H3
InChIKey CJWDCOSZJPAVOA-UHFFFAOYSA-N
Molecular Weight 198.225 g/mol
SMILES C(#N)C1c2c(C=CN1C(C)=O)cccc2
SPLASH splash10-0a59-3900000000-2683d51918e26e49ac35
Source of Spectrum O-3-1077-14
Wiley ID 22958