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2-(2-iodanylphenyl)carbonyl-1H-isoquinoline-1-carbonitrile
SpectraBase Compound ID Gi5J7boTHmx
InChI InChI=1S/C17H11IN2O/c18-15-8-4-3-7-14(15)17(21)20-10-9-12-5-1-2-6-13(12)16(20)11-19/h1-10,16H
InChIKey WMBAFZZPEBZHJL-UHFFFAOYSA-N
Mol Weight 386.19 g/mol
Molecular Formula C17H11IN2O
Exact Mass 385.991608 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I372wXLU1pK
Name 2-(2-iodanylphenyl)carbonyl-1H-isoquinoline-1-carbonitrile
CAS Registry Number 130259-73-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H11IN2O
InChI InChI=1S/C17H11IN2O/c18-15-8-4-3-7-14(15)17(21)20-10-9-12-5-1-2-6-13(12)16(20)11-19/h1-10,16H
InChIKey WMBAFZZPEBZHJL-UHFFFAOYSA-N
Molecular Weight 386.192 g/mol
SMILES C(N1C(c2ccccc2C=C1)C#N)(c1c(I)cccc1)=O
SPLASH splash10-001i-2191000000-1a6fe6b172077b5f6d7c
Source of Spectrum F-46-4011-15
Synonyms 2-(2-iodobenzoyl)-1H-isoquinoline-1-carbonitrile 2-[(2-iodophenyl)-oxomethyl]-1H-isoquinoline-1-carbonitrile
Wiley ID 1362439