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benzo[b]thiophene-3-carboxylic acid, 2-[[2-(4-chloro-3-methylphenoxy)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-, ethyl ester

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benzo[b]thiophene-3-carboxylic acid, 2-[[2-(4-chloro-3-methylphenoxy)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-, ethyl ester
SpectraBase Compound ID 5m29aiMnW5q
InChI InChI=1S/C21H24ClNO4S/c1-4-26-21(25)18-15-7-5-6-8-17(15)28-20(18)23-19(24)13(3)27-14-9-10-16(22)12(2)11-14/h9-11,13H,4-8H2,1-3H3,(H,23,24)
InChIKey IBYXZVMHGWMEQP-UHFFFAOYSA-N
Mol Weight 421.94 g/mol
Molecular Formula C21H24ClNO4S
Exact Mass 421.111457 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6PWUpQGCfr0
Name benzo[b]thiophene-3-carboxylic acid, 2-[[2-(4-chloro-3-methylphenoxy)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-, 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 421.111457127 u
Formula C21H24ClNO4S
InChI InChI=1S/C21H24ClNO4S/c1-4-26-21(25)18-15-7-5-6-8-17(15)28-20(18)23-19(24)13(3)27-14-9-10-16(22)12(2)11-14/h9-11,13H,4-8H2,1-3H3,(H,23,24)
InChIKey IBYXZVMHGWMEQP-UHFFFAOYSA-N
Molecular Weight 421.939 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13592
Solvent DMSO-d6
Source Vendor ID: ZI/10021336; Lab Info: PNA; Lab Number: PNA-1991321