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benzo[b]thiophene-3-carboxylic acid, 2-[[(1,3-benzodioxol-5-yloxy)acetyl]amino]-4,5,6,7-tetrahydro-, ethyl ester
SpectraBase Compound ID KlkBVFWBiMv
InChI InChI=1S/C20H21NO6S/c1-2-24-20(23)18-13-5-3-4-6-16(13)28-19(18)21-17(22)10-25-12-7-8-14-15(9-12)27-11-26-14/h7-9H,2-6,10-11H2,1H3,(H,21,22)
InChIKey GWWOHMMZMMPNCA-UHFFFAOYSA-N
Mol Weight 403.45 g/mol
Molecular Formula C20H21NO6S
Exact Mass 403.108959 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E667gkcSpQn
Name benzo[b]thiophene-3-carboxylic acid, 2-[[(1,3-benzodioxol-5-yloxy)acetyl]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 403.108958568 u
Formula C20H21NO6S
InChI InChI=1S/C20H21NO6S/c1-2-24-20(23)18-13-5-3-4-6-16(13)28-19(18)21-17(22)10-25-12-7-8-14-15(9-12)27-11-26-14/h7-9H,2-6,10-11H2,1H3,(H,21,22)
InChIKey GWWOHMMZMMPNCA-UHFFFAOYSA-N
Molecular Weight 403.449 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13637
Solvent DMSO-d6
Source Vendor ID: ZI/10020890; Lab Info: PNA; Lab Number: PNA-1991326