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2-oxo-2-[(4-oxo-4H-1,3-benzothiazin-2-yl)amino]ethyl 4-phenyl-1-piperazinecarbodithioate
SpectraBase Compound ID 25AIDu36wBs
InChI InChI=1S/C21H20N4O2S3/c26-18(22-20-23-19(27)16-8-4-5-9-17(16)30-20)14-29-21(28)25-12-10-24(11-13-25)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,22,23,26,27)
InChIKey GAZKOCBMWPOAHK-UHFFFAOYSA-N
Mol Weight 456.6 g/mol
Molecular Formula C21H20N4O2S3
Exact Mass 456.074839 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5UOiiCQ2ZGF
Name 2-oxo-2-[(4-oxo-4H-1,3-benzothiazin-2-yl)amino]ethyl 4-phenyl-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/C21H20N4O2S3/c26-18(22-20-23-19(27)16-8-4-5-9-17(16)30-20)14-29-21(28)25-12-10-24(11-13-25)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,22,23,26,27)
InChIKey GAZKOCBMWPOAHK-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_6904
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: D27124; Labnumber: VGU-0018867; SBI_ID: SBI-006907
Temperature 318 °C