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1-Oxo-2-(p-chlorophenyl)-3-(p'-bromophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxylic Acid
SpectraBase Compound ID FHyfE0Zmzue
InChI InChI=1S/C22H15BrClNO3/c23-14-7-5-13(6-8-14)20-19(22(27)28)17-3-1-2-4-18(17)21(26)25(20)16-11-9-15(24)10-12-16/h1-12,19-20H,(H,27,28)
InChIKey RSSCADNBJGFSSK-UHFFFAOYSA-N
Mol Weight 456.72 g/mol
Molecular Formula C22H15BrClNO3
Exact Mass 454.992384 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IEZhbkvdsrQ
Name 1-Oxo-2-(p-chlorophenyl)-3-(p'-bromophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxylic Acid
Alternate Name(s) 3-(4-bromophenyl)-2-(4-chlorophenyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H15BrClNO3
InChI InChI=1S/C22H15BrClNO3/c23-14-7-5-13(6-8-14)20-19(22(27)28)17-3-1-2-4-18(17)21(26)25(20)16-11-9-15(24)10-12-16/h1-12,19-20H,(H,27,28)
InChIKey RSSCADNBJGFSSK-UHFFFAOYSA-N
Molecular Weight 456.723 g/mol
SMILES OC(C1C(N(C(c2ccccc12)=O)c1ccc(cc1)Cl)c1ccc(cc1)Br)=O
SPLASH splash10-014i-9333200000-a6a7b03c5183ac7aef06
Source of Spectrum AJ-43-189-4
Wiley ID 1593837