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ethyl 2-[({[4-butyl-5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-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-1,3-dimethyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate
SpectraBase Compound ID 3guAzmp5Gxg
InChI InChI=1S/C22H29ClN6O3S2/c1-7-9-10-29-19(18-17(23)13(4)27-28(18)6)25-26-22(29)33-11-15(30)24-20-16(21(31)32-8-2)12(3)14(5)34-20/h7-11H2,1-6H3,(H,24,30)
InChIKey WBBDWQMOJOGUHJ-UHFFFAOYSA-N
Mol Weight 525.09 g/mol
Molecular Formula C22H29ClN6O3S2
Exact Mass 524.143109 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5wYuPEyC9qZ
Name ethyl 2-[({[4-butyl-5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-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/C22H29ClN6O3S2/c1-7-9-10-29-19(18-17(23)13(4)27-28(18)6)25-26-22(29)33-11-15(30)24-20-16(21(31)32-8-2)12(3)14(5)34-20/h7-11H2,1-6H3,(H,24,30)
InChIKey WBBDWQMOJOGUHJ-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11432
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/1029246; Labnumber: NIV1256; UZI_ID: UZI-011434
Temperature 308 °C