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ethyl 2-({[(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

View entire compound with spectra: 1 NMR

ethyl 2-({[(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID AG8zaesDvtm
InChI InChI=1S/C20H26N4O3S2/c1-4-27-19(26)16-13-8-5-11(2)9-14(13)29-18(16)21-15(25)10-28-20-23-22-17(24(20)3)12-6-7-12/h11-12H,4-10H2,1-3H3,(H,21,25)
InChIKey NBPQEKJLJFUJTI-UHFFFAOYSA-N
Mol Weight 434.57 g/mol
Molecular Formula C20H26N4O3S2
Exact Mass 434.144633 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L8aRAQ9U2b5
Name ethyl 2-({[(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-6-methyl-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/C20H26N4O3S2/c1-4-27-19(26)16-13-8-5-11(2)9-14(13)29-18(16)21-15(25)10-28-20-23-22-17(24(20)3)12-6-7-12/h11-12H,4-10H2,1-3H3,(H,21,25)
InChIKey NBPQEKJLJFUJTI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_18259
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: UZI/1253276; Labnumber: TRZ-MECL/017234; UZI_ID: UZI-018266
Temperature 318 °C