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methyl 4,5-dimethyl-2-{[({2-methyl-3-[3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}amino)(oxo)acetyl]amino}-3-thiophenecarboxylate

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methyl 4,5-dimethyl-2-{[({2-methyl-3-[3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}amino)(oxo)acetyl]amino}-3-thiophenecarboxylate
SpectraBase Compound ID AMt1ziAuvo1
InChI InChI=1S/C18H21F3N4O4S/c1-9(8-25-6-5-12(24-25)18(19,20)21)7-22-14(26)15(27)23-16-13(17(28)29-4)10(2)11(3)30-16/h5-6,9H,7-8H2,1-4H3,(H,22,26)(H,23,27)
InChIKey WHUXMWIABGTJEO-UHFFFAOYSA-N
Mol Weight 446.45 g/mol
Molecular Formula C18H21F3N4O4S
Exact Mass 446.123561 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IZPu0Y4pneZ
Name methyl 4,5-dimethyl-2-{[({2-methyl-3-[3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}amino)(oxo)acetyl]amino}-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/C18H21F3N4O4S/c1-9(8-25-6-5-12(24-25)18(19,20)21)7-22-14(26)15(27)23-16-13(17(28)29-4)10(2)11(3)30-16/h5-6,9H,7-8H2,1-4H3,(H,22,26)(H,23,27)
InChIKey WHUXMWIABGTJEO-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_33426
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: 1927422; SBI_ID: SBI-033430
Temperature 318 °C