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2-{5-[4-(4-methylbenzoyl)-1-piperazinyl]-2-nitrophenyl}-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID 97QSmzLyRkp
InChI InChI=1S/C27H28N4O3/c1-20-6-8-22(9-7-20)27(32)29-16-14-28(15-17-29)24-10-11-25(31(33)34)26(18-24)30-13-12-21-4-2-3-5-23(21)19-30/h2-11,18H,12-17,19H2,1H3
InChIKey BPQUBVPQESFQKJ-UHFFFAOYSA-N
Mol Weight 456.55 g/mol
Molecular Formula C27H28N4O3
Exact Mass 456.216141 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J368TP3H4aJ
Name 2-{5-[4-(4-methylbenzoyl)-1-piperazinyl]-2-nitrophenyl}-1,2,3,4-tetrahydroisoquinoline
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.216140775 u
Formula C27H28N4O3
InChI InChI=1S/C27H28N4O3/c1-20-6-8-22(9-7-20)27(32)29-16-14-28(15-17-29)24-10-11-25(31(33)34)26(18-24)30-13-12-21-4-2-3-5-23(21)19-30/h2-11,18H,12-17,19H2,1H3
InChIKey BPQUBVPQESFQKJ-UHFFFAOYSA-N
Molecular Weight 456.546 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_4046
Solvent DMSO-d6
Source Vendor ID: NMR/12308675