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ethyl 2-[({[5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate

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ethyl 2-[({[5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate
SpectraBase Compound ID 2IRmSzVnSND
InChI InChI=1S/C21H27ClN6O3S2/c1-7-31-20(30)16-12(4)13(5)33-19(16)23-15(29)10-32-21-25-24-18(28(21)8-11(2)3)17-14(22)9-27(6)26-17/h9,11H,7-8,10H2,1-6H3,(H,23,29)
InChIKey FOGQAPHELBKRGD-UHFFFAOYSA-N
Mol Weight 511.06 g/mol
Molecular Formula C21H27ClN6O3S2
Exact Mass 510.127459 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KuN2fmvsTU5
Name ethyl 2-[({[5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate
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/C21H27ClN6O3S2/c1-7-31-20(30)16-12(4)13(5)33-19(16)23-15(29)10-32-21-25-24-18(28(21)8-11(2)3)17-14(22)9-27(6)26-17/h9,11H,7-8,10H2,1-6H3,(H,23,29)
InChIKey FOGQAPHELBKRGD-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11335
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/1031371; Labnumber: NIV1110; UZI_ID: UZI-011337
Temperature 308 °C