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

*Links on SpectraBase are not permalinks.

isopropyl 2-[({[5-(1,3-dimethyl-1H-pyrazol-5-yl)-4-ethyl-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

isopropyl 2-[({[5-(1,3-dimethyl-1H-pyrazol-5-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID D4CfuNLdXaf
InChI InChI=1S/C23H30N6O3S2/c1-6-29-20(16-11-14(4)27-28(16)5)25-26-23(29)33-12-18(30)24-21-19(22(31)32-13(2)3)15-9-7-8-10-17(15)34-21/h11,13H,6-10,12H2,1-5H3,(H,24,30)
InChIKey FRMRCXQGOWMKHB-UHFFFAOYSA-N
Mol Weight 502.65 g/mol
Molecular Formula C23H30N6O3S2
Exact Mass 502.182081 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 SuPc6brxMP
Name isopropyl 2-[({[5-(1,3-dimethyl-1H-pyrazol-5-yl)-4-ethyl-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/C23H30N6O3S2/c1-6-29-20(16-11-14(4)27-28(16)5)25-26-23(29)33-12-18(30)24-21-19(22(31)32-13(2)3)15-9-7-8-10-17(15)34-21/h11,13H,6-10,12H2,1-5H3,(H,24,30)
InChIKey FRMRCXQGOWMKHB-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11349
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/1029766; Labnumber: NIV1126; UZI_ID: UZI-011351
Temperature 308 °C