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2-(4-Bromophenyl)-4-quinolinecarboxylic acid compound with 1-phenylethanamine (1:1)

View entire compound with spectra: 2 NMR

2-(4-Bromophenyl)-4-quinolinecarboxylic acid compound with 1-phenylethanamine (1:1)
SpectraBase Compound ID 2u5tpw9WgrJ
InChI InChI=1S/C16H10BrNO2.C8H11N/c17-11-7-5-10(6-8-11)15-9-13(16(19)20)12-3-1-2-4-14(12)18-15;1-7(9)8-5-3-2-4-6-8/h1-9H,(H,19,20);2-7H,9H2,1H3
InChIKey KGJGNQFAUCWGBK-UHFFFAOYSA-N
Mol Weight 449.35 g/mol
Molecular Formula C24H21BrN2O2
Exact Mass 448.078641 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C0YbRaEciZF
Name 2-(4-Bromophenyl)-4-quinolinecarboxylic acid compound with 1-phenylethanamine (1:1)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 448.078640922 u
Formula C24H21BrN2O2
InChI InChI=1S/C16H10BrNO2.C8H11N/c17-11-7-5-10(6-8-11)15-9-13(16(19)20)12-3-1-2-4-14(12)18-15;1-7(9)8-5-3-2-4-6-8/h1-9H,(H,19,20);2-7H,9H2,1H3
InChIKey KGJGNQFAUCWGBK-UHFFFAOYSA-N
Molecular Weight 449.348 g/mol
SMILES NC(C=1C=CC=CC1)C.OC(C=1C=C(C=2C=CC(=CC2)Br)N=C2C1C=CC=C2)=O