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methyl 6-tert-butyl-2-({[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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methyl 6-tert-butyl-2-({[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID FBFOsfMd9jN
InChI InChI=1S/C25H30N2O4S3/c1-6-31-15-8-10-17-19(12-15)34-24(26-17)32-13-20(28)27-22-21(23(29)30-5)16-9-7-14(25(2,3)4)11-18(16)33-22/h8,10,12,14H,6-7,9,11,13H2,1-5H3,(H,27,28)
InChIKey KNBBNVWUIVOBHK-UHFFFAOYSA-N
Mol Weight 518.71 g/mol
Molecular Formula C25H30N2O4S3
Exact Mass 518.136771 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ESKwC2vltEj
Name methyl 6-tert-butyl-2-({[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C25H30N2O4S3/c1-6-31-15-8-10-17-19(12-15)34-24(26-17)32-13-20(28)27-22-21(23(29)30-5)16-9-7-14(25(2,3)4)11-18(16)33-22/h8,10,12,14H,6-7,9,11,13H2,1-5H3,(H,27,28)
InChIKey KNBBNVWUIVOBHK-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_1189
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/9234882; Labnumber: PNA-NA00174
Temperature 303 °C