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benzo[b]thiophene-3-carboxylic acid, 2-[[(3,4-diethoxyphenyl)acetyl]amino]-4,5,6,7-tetrahydro-, methyl ester
SpectraBase Compound ID 6ahqr4CABeT
InChI InChI=1S/C22H27NO5S/c1-4-27-16-11-10-14(12-17(16)28-5-2)13-19(24)23-21-20(22(25)26-3)15-8-6-7-9-18(15)29-21/h10-12H,4-9,13H2,1-3H3,(H,23,24)
InChIKey DXSCMTXHKCOPDZ-UHFFFAOYSA-N
Mol Weight 417.52 g/mol
Molecular Formula C22H27NO5S
Exact Mass 417.160994 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BN8ulFkrPGV
Name benzo[b]thiophene-3-carboxylic acid, 2-[[(3,4-diethoxyphenyl)acetyl]amino]-4,5,6,7-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 417.160994142 u
Formula C22H27NO5S
InChI InChI=1S/C22H27NO5S/c1-4-27-16-11-10-14(12-17(16)28-5-2)13-19(24)23-21-20(22(25)26-3)15-8-6-7-9-18(15)29-21/h10-12H,4-9,13H2,1-3H3,(H,23,24)
InChIKey DXSCMTXHKCOPDZ-UHFFFAOYSA-N
Molecular Weight 417.520 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17829
Solvent DMSO-d6
Source Vendor ID: NMR/11251976; Lab Info: PNA; Lab Number: PNA-0000002