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benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[[5-methyl-2-(1-methylethyl)phenoxy]acetyl]amino]-, 1-methylethyl ester

View entire compound with spectra: 1 NMR

benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[[5-methyl-2-(1-methylethyl)phenoxy]acetyl]amino]-, 1-methylethyl ester
SpectraBase Compound ID ALwPEyDCdpt
InChI InChI=1S/C24H31NO4S/c1-14(2)17-11-10-16(5)12-19(17)28-13-21(26)25-23-22(24(27)29-15(3)4)18-8-6-7-9-20(18)30-23/h10-12,14-15H,6-9,13H2,1-5H3,(H,25,26)
InChIKey NKSADPZTUJXUFB-UHFFFAOYSA-N
Mol Weight 429.58 g/mol
Molecular Formula C24H31NO4S
Exact Mass 429.19738 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9K3bSafeEV5
Name benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[[5-methyl-2-(1-methylethyl)phenoxy]acetyl]amino]-, 1-methylethyl 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 429.197379652 u
Formula C24H31NO4S
InChI InChI=1S/C24H31NO4S/c1-14(2)17-11-10-16(5)12-19(17)28-13-21(26)25-23-22(24(27)29-15(3)4)18-8-6-7-9-20(18)30-23/h10-12,14-15H,6-9,13H2,1-5H3,(H,25,26)
InChIKey NKSADPZTUJXUFB-UHFFFAOYSA-N
Molecular Weight 429.575 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_8201
Solvent DMSO-d6
Source Vendor ID: NMR/9253364; Lab Info: PNA; Lab Number: PNA-NA00419
Temperature 29.85 °C