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methyl 3-amino-4-[(4-chlorophenyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate
SpectraBase Compound ID 70JJwU8hS1X
InChI InChI=1S/C16H11ClN2O4S2/c1-23-16(20)15-14(18)13-11(24-10-4-2-8(17)3-5-10)6-9(19(21)22)7-12(13)25-15/h2-7H,18H2,1H3
InChIKey ORXRGBUOZNWGHI-UHFFFAOYSA-N
Mol Weight 394.85 g/mol
Molecular Formula C16H11ClN2O4S2
Exact Mass 393.984877 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I80Y0mgsc8P
Name methyl 3-amino-4-[(4-chlorophenyl)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/C16H11ClN2O4S2/c1-23-16(20)15-14(18)13-11(24-10-4-2-8(17)3-5-10)6-9(19(21)22)7-12(13)25-15/h2-7H,18H2,1H3
InChIKey ORXRGBUOZNWGHI-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14963
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/1021822; UBI_ID: UBI-014966
Temperature 313 °C