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4-(1,3-benzodioxol-5-ylmethyl)-N-(4-nitrophenyl)-1-piperazinecarbothioamide

View entire compound with spectra: 1 NMR

4-(1,3-benzodioxol-5-ylmethyl)-N-(4-nitrophenyl)-1-piperazinecarbothioamide
SpectraBase Compound ID FoCbie2WlCQ
InChI InChI=1S/C19H20N4O4S/c24-23(25)16-4-2-15(3-5-16)20-19(28)22-9-7-21(8-10-22)12-14-1-6-17-18(11-14)27-13-26-17/h1-6,11H,7-10,12-13H2,(H,20,28)
InChIKey ORWYAHKQGSPFHL-UHFFFAOYSA-N
Mol Weight 400.45 g/mol
Molecular Formula C19H20N4O4S
Exact Mass 400.120526 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CGjkTpZaZXJ
Name 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-nitrophenyl)-1-piperazinecarbothioamide
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/C19H20N4O4S/c24-23(25)16-4-2-15(3-5-16)20-19(28)22-9-7-21(8-10-22)12-14-1-6-17-18(11-14)27-13-26-17/h1-6,11H,7-10,12-13H2,(H,20,28)
InChIKey ORWYAHKQGSPFHL-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10497
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: 1002885; UBI_ID: UBI-010500
Temperature 313 °C