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

View entire compound with spectra: 1 NMR

ethyl 2-[({[4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 46dGkpvj8xl
InChI InChI=1S/C25H33ClN6O3S2/c1-5-8-11-32-22(21-17(26)13-31(4)30-21)28-29-25(32)36-14-19(33)27-23-20(24(34)35-7-3)16-10-9-15(6-2)12-18(16)37-23/h13,15H,5-12,14H2,1-4H3,(H,27,33)
InChIKey QPEUFZSOTIYWBC-UHFFFAOYSA-N
Mol Weight 565.2 g/mol
Molecular Formula C25H33ClN6O3S2
Exact Mass 564.174409 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BQZrCqgsOB6
Name ethyl 2-[({[4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-6-ethyl-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/C25H33ClN6O3S2/c1-5-8-11-32-22(21-17(26)13-31(4)30-21)28-29-25(32)36-14-19(33)27-23-20(24(34)35-7-3)16-10-9-15(6-2)12-18(16)37-23/h13,15H,5-12,14H2,1-4H3,(H,27,33)
InChIKey QPEUFZSOTIYWBC-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11333
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/1031186; Labnumber: NIV1107; UZI_ID: UZI-011335
Temperature 308 °C