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2-bromo-6-ethoxy-4-(1-piperidinylcarbothioyl)phenyl 4-methylbenzenesulfonate

View entire compound with spectra: 1 NMR

2-bromo-6-ethoxy-4-(1-piperidinylcarbothioyl)phenyl 4-methylbenzenesulfonate
SpectraBase Compound ID HaRjgYWLNEe
InChI InChI=1S/C21H24BrNO4S2/c1-3-26-19-14-16(21(28)23-11-5-4-6-12-23)13-18(22)20(19)27-29(24,25)17-9-7-15(2)8-10-17/h7-10,13-14H,3-6,11-12H2,1-2H3
InChIKey OQNIOWJQBQTTKJ-UHFFFAOYSA-N
Mol Weight 498.45 g/mol
Molecular Formula C21H24BrNO4S2
Exact Mass 497.033014 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GMoB5S7vGtd
Name 2-bromo-6-ethoxy-4-(1-piperidinylcarbothioyl)phenyl 4-methylbenzenesulfonate
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/C21H24BrNO4S2/c1-3-26-19-14-16(21(28)23-11-5-4-6-12-23)13-18(22)20(19)27-29(24,25)17-9-7-15(2)8-10-17/h7-10,13-14H,3-6,11-12H2,1-2H3
InChIKey OQNIOWJQBQTTKJ-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_531
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: ZI/8047916; Labnumber: LD-0500176
Temperature 303 °C