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4H-cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[[[(1-methyl-1H-imidazol-2-yl)thio]acetyl]amino]-, ethyl ester

View entire compound with spectra: 1 NMR

4H-cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[[[(1-methyl-1H-imidazol-2-yl)thio]acetyl]amino]-, ethyl ester
SpectraBase Compound ID AeNIqZnPVgt
InChI InChI=1S/C18H23N3O3S2/c1-3-24-17(23)15-12-7-5-4-6-8-13(12)26-16(15)20-14(22)11-25-18-19-9-10-21(18)2/h9-10H,3-8,11H2,1-2H3,(H,20,22)
InChIKey SARJQOUQQUWSEH-UHFFFAOYSA-N
Mol Weight 393.52 g/mol
Molecular Formula C18H23N3O3S2
Exact Mass 393.118084 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2TwjEaaiXl6
Name 4H-cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[[[(1-methyl-1H-imidazol-2-yl)thio]acetyl]amino]-, 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 393.118083958 u
Formula C18H23N3O3S2
InChI InChI=1S/C18H23N3O3S2/c1-3-24-17(23)15-12-7-5-4-6-8-13(12)26-16(15)20-14(22)11-25-18-19-9-10-21(18)2/h9-10H,3-8,11H2,1-2H3,(H,20,22)
InChIKey SARJQOUQQUWSEH-UHFFFAOYSA-N
Molecular Weight 393.520 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_3757
Solvent DMSO-d6
Source Vendor ID: NMR/9253346; Lab Info: PNA; Lab Number: PNA-NA00401
Temperature 29.85 °C