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3-thiophenecarboxylic acid, 2-[[(4-iodophenoxy)acetyl]amino]-4,5-dimethyl-, ethyl ester
SpectraBase Compound ID 4cEch54ZPoj
InChI InChI=1S/C17H18INO4S/c1-4-22-17(21)15-10(2)11(3)24-16(15)19-14(20)9-23-13-7-5-12(18)6-8-13/h5-8H,4,9H2,1-3H3,(H,19,20)
InChIKey PLOZMSWULSGFBN-UHFFFAOYSA-N
Mol Weight 459.3 g/mol
Molecular Formula C17H18INO4S
Exact Mass 459.000124 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GjrdGpgEoUr
Name 3-thiophenecarboxylic acid, 2-[[(4-iodophenoxy)acetyl]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 459.000124234 u
Formula C17H18INO4S
InChI InChI=1S/C17H18INO4S/c1-4-22-17(21)15-10(2)11(3)24-16(15)19-14(20)9-23-13-7-5-12(18)6-8-13/h5-8H,4,9H2,1-3H3,(H,19,20)
InChIKey PLOZMSWULSGFBN-UHFFFAOYSA-N
Molecular Weight 459.298 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12640
Solvent DMSO-d6
Source Vendor ID: ZI/10021576; Lab Info: PNA; Lab Number: PNA-1990977