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4H-cyclohepta[b]thiophene-3-carboxylic acid, 2-[[(4-chloro-2-methylphenoxy)acetyl]amino]-5,6,7,8-tetrahydro-, methyl ester

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4H-cyclohepta[b]thiophene-3-carboxylic acid, 2-[[(4-chloro-2-methylphenoxy)acetyl]amino]-5,6,7,8-tetrahydro-, methyl ester
SpectraBase Compound ID CGpGKDB6lP8
InChI InChI=1S/C20H22ClNO4S/c1-12-10-13(21)8-9-15(12)26-11-17(23)22-19-18(20(24)25-2)14-6-4-3-5-7-16(14)27-19/h8-10H,3-7,11H2,1-2H3,(H,22,23)
InChIKey JIHYUULZXWQSFU-UHFFFAOYSA-N
Mol Weight 407.91 g/mol
Molecular Formula C20H22ClNO4S
Exact Mass 407.095807 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DjZoiKL2q9G
Name 4H-cyclohepta[b]thiophene-3-carboxylic acid, 2-[[(4-chloro-2-methylphenoxy)acetyl]amino]-5,6,7,8-tetrahydro-, 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 407.095807062 u
Formula C20H22ClNO4S
InChI InChI=1S/C20H22ClNO4S/c1-12-10-13(21)8-9-15(12)26-11-17(23)22-19-18(20(24)25-2)14-6-4-3-5-7-16(14)27-19/h8-10H,3-7,11H2,1-2H3,(H,22,23)
InChIKey JIHYUULZXWQSFU-UHFFFAOYSA-N
Molecular Weight 407.912 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5359
Solvent DMSO-d6
Source Vendor ID: NMR/9253351; Lab Info: PNA; Lab Number: PNA-NA00406