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2-Benzyl-4-iodoisoquinolin-1(2H)-one
SpectraBase Compound ID 6UpMfLy2aeS
InChI InChI=1S/C16H12INO/c17-15-11-18(10-12-6-2-1-3-7-12)16(19)14-9-5-4-8-13(14)15/h1-9,11H,10H2
InChIKey KCKQWXLPEHUZKQ-UHFFFAOYSA-N
Mol Weight 361.18 g/mol
Molecular Formula C16H12INO
Exact Mass 360.996359 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1vT1w919WK
Name 2-Benzyl-4-iodoisoquinolin-1(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12INO
InChI InChI=1S/C16H12INO/c17-15-11-18(10-12-6-2-1-3-7-12)16(19)14-9-5-4-8-13(14)15/h1-9,11H,10H2
InChIKey KCKQWXLPEHUZKQ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.orglett.6b00646
Molecular Weight 361.182 g/mol
SMILES C1(N(C=C(c2ccccc12)I)Cc1ccccc1)=O
SPLASH splash10-01ox-9015000000-6f10b2ffeec92f17b650
Source of Spectrum A1-18-2036/SM12-5d
Wiley ID 1805353