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methyl 3-(acetylamino)-4-[(4-chlorobenzyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate
SpectraBase Compound ID FQPoDX9RBl0
InChI InChI=1S/C19H15ClN2O5S2/c1-10(23)21-17-16-14(28-9-11-3-5-12(20)6-4-11)7-13(22(25)26)8-15(16)29-18(17)19(24)27-2/h3-8H,9H2,1-2H3,(H,21,23)
InChIKey QVXPMGVCUOIOKH-UHFFFAOYSA-N
Mol Weight 450.91 g/mol
Molecular Formula C19H15ClN2O5S2
Exact Mass 450.011092 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IaUJytFm7aH
Name methyl 3-(acetylamino)-4-[(4-chlorobenzyl)sulfanyl]-6-nitro-1-benzothiophene-2-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/C19H15ClN2O5S2/c1-10(23)21-17-16-14(28-9-11-3-5-12(20)6-4-11)7-13(22(25)26)8-15(16)29-18(17)19(24)27-2/h3-8H,9H2,1-2H3,(H,21,23)
InChIKey QVXPMGVCUOIOKH-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_5988
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: UZI/1023401; Labnumber: CHE0011; UZI_ID: UZI-005990
Temperature 308 °C