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2-(4-bromobenzyl)isoquinolin-1(2H)-one
SpectraBase Compound ID KuXWWcY14ah
InChI InChI=1S/C16H12BrNO/c17-14-7-5-12(6-8-14)11-18-10-9-13-3-1-2-4-15(13)16(18)19/h1-10H,11H2
InChIKey UBPMDZOWFQPGSE-UHFFFAOYSA-N
Mol Weight 314.18 g/mol
Molecular Formula C16H12BrNO
Exact Mass 313.010227 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6sfb9g7FeR8
Name 2-(4-bromobenzyl)isoquinolin-1(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12BrNO
InChI InChI=1S/C16H12BrNO/c17-14-7-5-12(6-8-14)11-18-10-9-13-3-1-2-4-15(13)16(18)19/h1-10H,11H2
InChIKey UBPMDZOWFQPGSE-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.orglett.6b00646
Molecular Weight 314.182 g/mol
SMILES C1(N(C=Cc2ccccc12)Cc1ccc(cc1)Br)=O
SPLASH splash10-014i-4918000000-a103d8e7a6bca01081f4
Source of Spectrum A1-18-2036/SM8-4d
Wiley ID 1805341