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

View entire compound with spectra: 1 NMR

methyl 3-amino-4-(cyclohexylsulfanyl)-6-nitro-1-benzothiophene-2-carboxylate
SpectraBase Compound ID 2GmGGXxpKVv
InChI InChI=1S/C16H18N2O4S2/c1-22-16(19)15-14(17)13-11(23-10-5-3-2-4-6-10)7-9(18(20)21)8-12(13)24-15/h7-8,10H,2-6,17H2,1H3
InChIKey NNEOQQDSDQACFW-UHFFFAOYSA-N
Mol Weight 366.45 g/mol
Molecular Formula C16H18N2O4S2
Exact Mass 366.070799 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CS87BSu0K9L
Name methyl 3-amino-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/C16H18N2O4S2/c1-22-16(19)15-14(17)13-11(23-10-5-3-2-4-6-10)7-9(18(20)21)8-12(13)24-15/h7-8,10H,2-6,17H2,1H3
InChIKey NNEOQQDSDQACFW-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14994
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/1022281; UBI_ID: UBI-014997
Temperature 313 °C