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3-Amino-4-(2-hydroxyethylthio)-6-nitro-1-benzothiophene-2-carboxylic acid ethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-Amino-4-(2-hydroxyethylthio)-6-nitro-1-benzothiophene-2-carboxylic acid ethyl ester
SpectraBase Compound ID K0kzocU2kiC
InChI InChI=1S/C13H14N2O5S2/c1-2-20-13(17)12-11(14)10-8(21-4-3-16)5-7(15(18)19)6-9(10)22-12/h5-6,16H,2-4,14H2,1H3
InChIKey USUDJWMZZXESJM-UHFFFAOYSA-N
Mol Weight 342.38 g/mol
Molecular Formula C13H14N2O5S2
Exact Mass 342.034414 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CKJCPOPMbUE
Name benzo[b]thiophene-2-carboxylic acid, 3-amino-4-[(2-hydroxyethyl)thio]-6-nitro-, ethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.034413902 u
Formula C13H14N2O5S2
InChI InChI=1S/C13H14N2O5S2/c1-2-20-13(17)12-11(14)10-8(21-4-3-16)5-7(15(18)19)6-9(10)22-12/h5-6,16H,2-4,14H2,1H3
InChIKey USUDJWMZZXESJM-UHFFFAOYSA-N
Molecular Weight 342.384 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14338
Solvent DMSO-d6
Source Vendor ID: NMR/10320339; Lab Info: DAL; Lab Number: DAL-01010017