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isopropyl 2-[({[5-(4-chloro-1-methyl-1H-pyrazol-3-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-(4-chloro-1-methyl-1H-pyrazol-3-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 2nVLMWijpzQ
InChI InChI=1S/C22H27ClN6O3S2/c1-5-29-19(18-14(23)10-28(4)27-18)25-26-22(29)33-11-16(30)24-20-17(21(31)32-12(2)3)13-8-6-7-9-15(13)34-20/h10,12H,5-9,11H2,1-4H3,(H,24,30)
InChIKey XBGPNXYOFRYXSS-UHFFFAOYSA-N
Mol Weight 523.07 g/mol
Molecular Formula C22H27ClN6O3S2
Exact Mass 522.127459 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2hD8rjQJy3A
Name isopropyl 2-[({[5-(4-chloro-1-methyl-1H-pyrazol-3-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/C22H27ClN6O3S2/c1-5-29-19(18-14(23)10-28(4)27-18)25-26-22(29)33-11-16(30)24-20-17(21(31)32-12(2)3)13-8-6-7-9-15(13)34-20/h10,12H,5-9,11H2,1-4H3,(H,24,30)
InChIKey XBGPNXYOFRYXSS-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11440
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/1264361; Labnumber: NIV1266; UZI_ID: UZI-011442
Temperature 308 °C