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methyl 3-(acetylamino)-4-(cyclohexylsulfanyl)-6-nitro-1-benzothiophene-2-carboxylate

View entire compound with spectra: 1 NMR

methyl 3-(acetylamino)-4-(cyclohexylsulfanyl)-6-nitro-1-benzothiophene-2-carboxylate
SpectraBase Compound ID 3FAFqH8ArvX
InChI InChI=1S/C18H20N2O5S2/c1-10(21)19-16-15-13(26-12-6-4-3-5-7-12)8-11(20(23)24)9-14(15)27-17(16)18(22)25-2/h8-9,12H,3-7H2,1-2H3,(H,19,21)
InChIKey IGQXIXIVZFFZEO-UHFFFAOYSA-N
Mol Weight 408.49 g/mol
Molecular Formula C18H20N2O5S2
Exact Mass 408.081364 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9O6kLlA9JPd
Name methyl 3-(acetylamino)-4-(cyclohexylsulfanyl)-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/C18H20N2O5S2/c1-10(21)19-16-15-13(26-12-6-4-3-5-7-12)8-11(20(23)24)9-14(15)27-17(16)18(22)25-2/h8-9,12H,3-7H2,1-2H3,(H,19,21)
InChIKey IGQXIXIVZFFZEO-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14983
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/1022169; UBI_ID: UBI-014986
Temperature 313 °C