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2-[(4-Bromo-2-fluorophenyl)methyl]-1,3,4-trioxo-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID 4ProYIdBw3W
InChI InChI=1S/C16H9BrFNO3/c17-10-6-5-9(13(18)7-10)8-19-15(21)12-4-2-1-3-11(12)14(20)16(19)22/h1-7H,8H2
InChIKey BAKMSBLJOXSQIQ-UHFFFAOYSA-N
Mol Weight 362.15 g/mol
Molecular Formula C16H9BrFNO3
Exact Mass 360.974984 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EYJm40YyFDz
Name 2-[(4-Bromo-2-fluorophenyl)methyl]-1,3,4-trioxo-1,2,3,4-tetrahydroisoquinoline
Alternate Name(s) 2-(4-bromo-2-fluorobenzyl)-1,3,4(2H)-isoquinolinetrione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H9BrFNO3
InChI InChI=1S/C16H9BrFNO3/c17-10-6-5-9(13(18)7-10)8-19-15(21)12-4-2-1-3-11(12)14(20)16(19)22/h1-7H,8H2
InChIKey BAKMSBLJOXSQIQ-UHFFFAOYSA-N
Molecular Weight 362.154 g/mol
SMILES C1(N(C(c2c(C1=O)cccc2)=O)Cc1c(cc(cc1)Br)F)=O
SPLASH splash10-03dr-0901000000-893871652385679ba97c
Source of Spectrum H1-38-1830-12
Wiley ID 756531