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2-nitro-N-(3-pyridinylmethyl)-5-[4-(2-thienylcarbonyl)-1-piperazinyl]aniline
SpectraBase Compound ID FjH01MPg9JY
InChI InChI=1S/C21H21N5O3S/c27-21(20-4-2-12-30-20)25-10-8-24(9-11-25)17-5-6-19(26(28)29)18(13-17)23-15-16-3-1-7-22-14-16/h1-7,12-14,23H,8-11,15H2
InChIKey OROJOTNSILXNBM-UHFFFAOYSA-N
Mol Weight 423.49 g/mol
Molecular Formula C21H21N5O3S
Exact Mass 423.136511 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BXo15hRW5wl
Name 2-nitro-N-(3-pyridinylmethyl)-5-[4-(2-thienylcarbonyl)-1-piperazinyl]aniline
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/C21H21N5O3S/c27-21(20-4-2-12-30-20)25-10-8-24(9-11-25)17-5-6-19(26(28)29)18(13-17)23-15-16-3-1-7-22-14-16/h1-7,12-14,23H,8-11,15H2
InChIKey OROJOTNSILXNBM-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_8168
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: D33030; Labnumber: SPKUZ-1264; SBI_ID: SBI-008171
Synonyms N-{2-nitro-5-[4-(2-thienylcarbonyl)-1-piperazinyl]phenyl}-N-(3-pyridinylmethyl)amine
Temperature 308 °C