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1,4-Ethenoisoquinolin-3(2H)-one, 2-[(2-bromophenyl)methyl]-1,4-dihydro-
SpectraBase Compound ID nZJwHrDUX2
InChI InChI=1S/C18H14BrNO/c19-16-8-4-1-5-12(16)11-20-17-10-9-15(18(20)21)13-6-2-3-7-14(13)17/h1-10,15,17H,11H2/t15-,17+/m0/s1
InChIKey CXJNLOSLSIPBTL-DOTOQJQBSA-N
Mol Weight 340.22 g/mol
Molecular Formula C18H14BrNO
Exact Mass 339.025877 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EvETp0phc3G
Name 1,4-Ethenoisoquinolin-3(2H)-one, 2-[(2-bromophenyl)methyl]-1,4-dihydro-
Alternate Name(s) 1,2,3,6-Tetrahydro-3,6-O-benzeno-1-[(2-bromophenyl)methyl]-2-oxopyridine 9-(2-bromobenzyl)-9-azatricyclo[6.2.2.0(2,7)]dodeca-2,4,6,11-tetraen-10-one
CAS Registry Number 114325-76-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14BrNO
InChI InChI=1S/C18H14BrNO/c19-16-8-4-1-5-12(16)11-20-17-10-9-15(18(20)21)13-6-2-3-7-14(13)17/h1-10,15,17H,11H2/t15-,17+/m0/s1
InChIKey CXJNLOSLSIPBTL-DOTOQJQBSA-N
Molecular Weight 340.220 g/mol
SMILES C1(N([C@@]2(C=C[C@]1(c1c2cccc1)[H])[H])Cc1c(Br)cccc1)=O
SPLASH splash10-004i-0900000000-bda4e7866a02ba693017
Source of Spectrum J-54-5082-32
Wiley ID 1334436