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

View entire compound with spectra: 1 NMR

benzo[b]thiophene-3-carboxylic acid, 6-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-2-[[(2-pyridinylthio)acetyl]amino]-, methyl ester
SpectraBase Compound ID A0J8ukBslxW
InChI InChI=1S/C21H26N2O3S2/c1-21(2,3)13-8-9-14-15(11-13)28-19(18(14)20(25)26-4)23-16(24)12-27-17-7-5-6-10-22-17/h5-7,10,13H,8-9,11-12H2,1-4H3,(H,23,24)
InChIKey QXXKICNLEKAROL-UHFFFAOYSA-N
Mol Weight 418.57 g/mol
Molecular Formula C21H26N2O3S2
Exact Mass 418.138485 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8g1qT7wfcOA
Name benzo[b]thiophene-3-carboxylic acid, 6-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-2-[[(2-pyridinylthio)acetyl]amino]-, methyl ester
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.138485050 u
Formula C21H26N2O3S2
InChI InChI=1S/C21H26N2O3S2/c1-21(2,3)13-8-9-14-15(11-13)28-19(18(14)20(25)26-4)23-16(24)12-27-17-7-5-6-10-22-17/h5-7,10,13H,8-9,11-12H2,1-4H3,(H,23,24)
InChIKey QXXKICNLEKAROL-UHFFFAOYSA-N
Molecular Weight 418.570 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5363
Solvent DMSO-d6
Source Vendor ID: NMR/9213110; Lab Info: PNA; Lab Number: PNA-NA00007