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2-{5-[4-(3-methylbenzoyl)-1-piperazinyl]-2-nitrophenyl}-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID JiUltjdbd7g
InChI InChI=1S/C27H28N4O3/c1-20-5-4-8-22(17-20)27(32)29-15-13-28(14-16-29)24-9-10-25(31(33)34)26(18-24)30-12-11-21-6-2-3-7-23(21)19-30/h2-10,17-18H,11-16,19H2,1H3
InChIKey CIZXPEKJUDEVAN-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 3DksJ78oVQA
Name 2-{5-[4-(3-methylbenzoyl)-1-piperazinyl]-2-nitrophenyl}-1,2,3,4-tetrahydroisoquinoline
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C27H28N4O3/c1-20-5-4-8-22(17-20)27(32)29-15-13-28(14-16-29)24-9-10-25(31(33)34)26(18-24)30-12-11-21-6-2-3-7-23(21)19-30/h2-10,17-18H,11-16,19H2,1H3
InChIKey CIZXPEKJUDEVAN-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_5412
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D22886; Labnumber: SPKUZ-2171; SBI_ID: SBI-005414
Temperature 308 °C