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2-[(2-chlorobenzoyl)thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester
SpectraBase Compound ID GzyYo2ZTkmo
InChI InChI=1S/C17H17ClN2O3S2/c1-4-23-16(22)13-9(2)10(3)25-15(13)20-17(24)19-14(21)11-7-5-6-8-12(11)18/h5-8H,4H2,1-3H3,(H2,19,20,21,24)
InChIKey RVZMWCHOQJGQNZ-UHFFFAOYSA-N
Mol Weight 396.91 g/mol
Molecular Formula C17H17ClN2O3S2
Exact Mass 396.036912 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 42bsKl5qXYN
Name 3-thiophenecarboxylic acid, 2-[[[(2-chlorobenzoyl)amino]carbonothioyl]amino]-4,5-dimethyl-, 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 396.036912460 u
Formula C17H17ClN2O3S2
InChI InChI=1S/C17H17ClN2O3S2/c1-4-23-16(22)13-9(2)10(3)25-15(13)20-17(24)19-14(21)11-7-5-6-8-12(11)18/h5-8H,4H2,1-3H3,(H2,19,20,21,24)
InChIKey RVZMWCHOQJGQNZ-UHFFFAOYSA-N
Molecular Weight 396.907 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14645
Solvent DMSO-d6
Source Vendor ID: NMR/10271370; Lab Info: OBK; Lab Number: OBK-0003642