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

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

3-Amino-6-nitro-4-(2,2,2-trifluoroethoxy)-1-benzothiophene-2-carboxylic acid ethyl ester
SpectraBase Compound ID IcsoFJPHJQB
InChI InChI=1S/C13H11F3N2O5S/c1-2-22-12(19)11-10(17)9-7(23-5-13(14,15)16)3-6(18(20)21)4-8(9)24-11/h3-4H,2,5,17H2,1H3
InChIKey YBDUFKAQTUIKSS-UHFFFAOYSA-N
Mol Weight 364.3 g/mol
Molecular Formula C13H11F3N2O5S
Exact Mass 364.034077 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FV4AutIMYG2
Name benzo[b]thiophene-2-carboxylic acid, 3-amino-6-nitro-4-(2,2,2-trifluoroethoxy)-, 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 364.034077120 u
Formula C13H11F3N2O5S
InChI InChI=1S/C13H11F3N2O5S/c1-2-22-12(19)11-10(17)9-7(23-5-13(14,15)16)3-6(18(20)21)4-8(9)24-11/h3-4H,2,5,17H2,1H3
InChIKey YBDUFKAQTUIKSS-UHFFFAOYSA-N
Molecular Weight 364.295 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14340
Solvent DMSO-d6
Source Vendor ID: NMR/10320344; Lab Info: DAL; Lab Number: DAL-01010021