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benzo[b]thiophene-2-carboxylic acid, 6-nitro-4-(phenylthio)-3-(1H-pyrrol-1-yl)-, methyl ester
SpectraBase Compound ID Fd0No6ppTqI
InChI InChI=1S/C20H14N2O4S2/c1-26-20(23)19-18(21-9-5-6-10-21)17-15(27-14-7-3-2-4-8-14)11-13(22(24)25)12-16(17)28-19/h2-12H,1H3
InChIKey GURQTFFGFNBLRB-UHFFFAOYSA-N
Mol Weight 410.46 g/mol
Molecular Formula C20H14N2O4S2
Exact Mass 410.039499 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4mnjQhKOmKn
Name benzo[b]thiophene-2-carboxylic acid, 6-nitro-4-(phenylthio)-3-(1H-pyrrol-1-yl)-, methyl 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 410.039499283 u
Formula C20H14N2O4S2
InChI InChI=1S/C20H14N2O4S2/c1-26-20(23)19-18(21-9-5-6-10-21)17-15(27-14-7-3-2-4-8-14)11-13(22(24)25)12-16(17)28-19/h2-12H,1H3
InChIKey GURQTFFGFNBLRB-UHFFFAOYSA-N
Molecular Weight 410.462 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16693
Solvent DMSO-d6
Source Vendor ID: NMR/10320348; Lab Info: DAL; Lab Number: DAL-01010025