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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]-4,5-dimethyl-3-thiophenecarboxylate

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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]-4,5-dimethyl-3-thiophenecarboxylate
SpectraBase Compound ID Gy6eowLBwmj
InChI InChI=1S/C21H27ClN6O3S2/c1-6-8-9-28-18(17-14(22)10-27(5)26-17)24-25-21(28)32-11-15(29)23-19-16(20(30)31-7-2)12(3)13(4)33-19/h10H,6-9,11H2,1-5H3,(H,23,29)
InChIKey XWWBHFSYNIYKRU-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 D1mjK8VoBOG
Name ethyl 2-[({[4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-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/c1-6-8-9-28-18(17-14(22)10-27(5)26-17)24-25-21(28)32-11-15(29)23-19-16(20(30)31-7-2)12(3)13(4)33-19/h10H,6-9,11H2,1-5H3,(H,23,29)
InChIKey XWWBHFSYNIYKRU-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11332
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/1031177; Labnumber: NIV1106; UZI_ID: UZI-011334
Temperature 308 °C