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4H-cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[[1-oxo-2-(4-propylphenoxy)propyl]amino]-, methyl ester

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4H-cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[[1-oxo-2-(4-propylphenoxy)propyl]amino]-, methyl ester
SpectraBase Compound ID FaAzpwNF1jF
InChI InChI=1S/C23H29NO4S/c1-4-8-16-11-13-17(14-12-16)28-15(2)21(25)24-22-20(23(26)27-3)18-9-6-5-7-10-19(18)29-22/h11-15H,4-10H2,1-3H3,(H,24,25)
InChIKey OWWPNUGUKSIVDT-UHFFFAOYSA-N
Mol Weight 415.55 g/mol
Molecular Formula C23H29NO4S
Exact Mass 415.18173 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5swmPvhaMz9
Name 4H-cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[[1-oxo-2-(4-propylphenoxy)propyl]amino]-, 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 415.181729588 u
Formula C23H29NO4S
InChI InChI=1S/C23H29NO4S/c1-4-8-16-11-13-17(14-12-16)28-15(2)21(25)24-22-20(23(26)27-3)18-9-6-5-7-10-19(18)29-22/h11-15H,4-10H2,1-3H3,(H,24,25)
InChIKey OWWPNUGUKSIVDT-UHFFFAOYSA-N
Molecular Weight 415.548 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_3751
Solvent DMSO-d6
Source Vendor ID: NMR/9245346; Lab Info: PNA; Lab Number: PNA-NA00325
Temperature 29.85 °C