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1-oxo-2-Benzyl-3-(2'-bromophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-oxo-2-Benzyl-3-(2'-bromophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
SpectraBase Compound ID DKX29L48xzB
InChI InChI=1S/C23H18BrNO3/c24-19-13-7-6-12-18(19)21-20(23(27)28)16-10-4-5-11-17(16)22(26)25(21)14-15-8-2-1-3-9-15/h1-13,20-21H,14H2,(H,27,28)
InChIKey GSBBLDMXNVLYIF-UHFFFAOYSA-N
Mol Weight 436.31 g/mol
Molecular Formula C23H18BrNO3
Exact Mass 435.047006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FzxVzbbQ7jG
Name 1-oxo-2-Benzyl-3-(2'-bromophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 435.047006441 u
Formula C23H18BrNO3
InChI InChI=1S/C23H18BrNO3/c24-19-13-7-6-12-18(19)21-20(23(27)28)16-10-4-5-11-17(16)22(26)25(21)14-15-8-2-1-3-9-15/h1-13,20-21H,14H2,(H,27,28)
InChIKey GSBBLDMXNVLYIF-UHFFFAOYSA-N
Molecular Weight 436.305 g/mol
SMILES C1(N(C(C2=C(C1C(=O)O)C=CC=C2)=O)CC1=CC=CC=C1)C=1C(Br)=CC=CC1