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ethyl 4-{[4-(4,5,6,7-tetrahydro-1-benzothien-2-ylcarbonyl)-1-piperazinyl]sulfonyl}phenyl ether
SpectraBase Compound ID HgnrC3zXeYB
InChI InChI=1S/C21H26N2O4S2/c1-2-27-17-7-9-18(10-8-17)29(25,26)23-13-11-22(12-14-23)21(24)20-15-16-5-3-4-6-19(16)28-20/h7-10,15H,2-6,11-14H2,1H3
InChIKey IVYKAVMWXQNGAL-UHFFFAOYSA-N
Mol Weight 434.57 g/mol
Molecular Formula C21H26N2O4S2
Exact Mass 434.1334 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ASxcE06yPAr
Name ethyl 4-{[4-(4,5,6,7-tetrahydro-1-benzothien-2-ylcarbonyl)-1-piperazinyl]sulfonyl}phenyl ether
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/C21H26N2O4S2/c1-2-27-17-7-9-18(10-8-17)29(25,26)23-13-11-22(12-14-23)21(24)20-15-16-5-3-4-6-19(16)28-20/h7-10,15H,2-6,11-14H2,1H3
InChIKey IVYKAVMWXQNGAL-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_33534
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: 1996030; SBI_ID: SBI-033538
Synonyms 1-[(4-ethoxyphenyl)sulfonyl]-4-(4,5,6,7-tetrahydro-1-benzothien-2-ylcarbonyl)piperazine
Temperature 318 °C