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2-(2-benzoyl-4-chloroanilino)-2-oxoethyl 4-methyl-1-piperazinecarbodithioate

View entire compound with spectra: 1 NMR

2-(2-benzoyl-4-chloroanilino)-2-oxoethyl 4-methyl-1-piperazinecarbodithioate
SpectraBase Compound ID NUbxGuYKm7
InChI InChI=1S/C21H22ClN3O2S2/c1-24-9-11-25(12-10-24)21(28)29-14-19(26)23-18-8-7-16(22)13-17(18)20(27)15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,23,26)
InChIKey FFIIZXTWAHLAAR-UHFFFAOYSA-N
Mol Weight 448.0 g/mol
Molecular Formula C21H22ClN3O2S2
Exact Mass 447.084197 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9X45278OYzS
Name 2-(2-benzoyl-4-chloroanilino)-2-oxoethyl 4-methyl-1-piperazinecarbodithioate
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/C21H22ClN3O2S2/c1-24-9-11-25(12-10-24)21(28)29-14-19(26)23-18-8-7-16(22)13-17(18)20(27)15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,23,26)
InChIKey FFIIZXTWAHLAAR-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_6977
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: D27299; Labnumber: VGU-18499; SBI_ID: SBI-006980
Temperature 315 °C