For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

ethyl 2-[({[5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID IhAgF8lAOP2
InChI InChI=1S/C20H21N5O3S2/c1-2-28-19(27)16-13-5-3-4-6-14(13)30-18(16)22-15(26)11-29-20-23-17(24-25-20)12-7-9-21-10-8-12/h7-10H,2-6,11H2,1H3,(H,22,26)(H,23,24,25)
InChIKey FYOLBIGMMBETTH-UHFFFAOYSA-N
Mol Weight 443.54 g/mol
Molecular Formula C20H21N5O3S2
Exact Mass 443.108582 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5brR9skmhyg
Name ethyl 2-[({[5-(4-pyridinyl)-4H-1,2,4-triazol-3-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/C20H21N5O3S2/c1-2-28-19(27)16-13-5-3-4-6-14(13)30-18(16)22-15(26)11-29-20-23-17(24-25-20)12-7-9-21-10-8-12/h7-10H,2-6,11H2,1H3,(H,22,26)(H,23,24,25)
InChIKey FYOLBIGMMBETTH-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7537
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: D48088; Labnumber: SPDEM5-39723; SBI_ID: SBI-007540
Temperature 318 °C