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2-(3-bromobenzyl)isoquinolin-1(2H)-one
SpectraBase Compound ID L3YGw5cRGKh
InChI InChI=1S/C16H12BrNO/c17-14-6-3-4-12(10-14)11-18-9-8-13-5-1-2-7-15(13)16(18)19/h1-10H,11H2
InChIKey QBZONURSXWFFJL-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 LTSNa42q53D
Name 2-(3-bromobenzyl)isoquinolin-1(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12BrNO
InChI InChI=1S/C16H12BrNO/c17-14-6-3-4-12(10-14)11-18-9-8-13-5-1-2-7-15(13)16(18)19/h1-10H,11H2
InChIKey QBZONURSXWFFJL-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.orglett.6b00646
Molecular Weight 314.182 g/mol
SMILES C1(N(C=Cc2ccccc12)Cc1cc(ccc1)Br)=O
SPLASH splash10-001i-1392000000-b070dea35da9b3c682dc
Source of Spectrum A1-18-2036/SM10-4k
Wiley ID 1805348