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ethyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 1T7WNYrvmQp
InChI InChI=1S/C22H22ClNO3S2/c1-3-12-9-10-13-16(11-12)29-21(17(13)22(26)27-4-2)24-20(25)19-18(23)14-7-5-6-8-15(14)28-19/h5-8,12H,3-4,9-11H2,1-2H3,(H,24,25)
InChIKey LWZLVXUOCRWAPO-UHFFFAOYSA-N
Mol Weight 448.0 g/mol
Molecular Formula C22H22ClNO3S2
Exact Mass 447.072964 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JLEaXH9DvlY
Name ethyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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/C22H22ClNO3S2/c1-3-12-9-10-13-16(11-12)29-21(17(13)22(26)27-4-2)24-20(25)19-18(23)14-7-5-6-8-15(14)28-19/h5-8,12H,3-4,9-11H2,1-2H3,(H,24,25)
InChIKey LWZLVXUOCRWAPO-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2149
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: 9116043; UBI_ID: UBI-002150
Temperature 308 °C