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2-ethyl 4-methyl 5-({[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-3-methyl-2,4-thiophenedicarboxylate
SpectraBase Compound ID 4cP96ydNzF
InChI InChI=1S/C17H17F4N3O5S/c1-4-29-17(27)12-7(2)11(16(26)28-3)15(30-12)22-10(25)6-24-9(14(20)21)5-8(23-24)13(18)19/h5,13-14H,4,6H2,1-3H3,(H,22,25)
InChIKey SBNIFALQAIWIPG-UHFFFAOYSA-N
Mol Weight 451.39 g/mol
Molecular Formula C17H17F4N3O5S
Exact Mass 451.082504 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KedWIeUB4Ap
Name 2-ethyl 4-methyl 5-({[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-3-methyl-2,4-thiophenedicarboxylate
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/C17H17F4N3O5S/c1-4-29-17(27)12-7(2)11(16(26)28-3)15(30-12)22-10(25)6-24-9(14(20)21)5-8(23-24)13(18)19/h5,13-14H,4,6H2,1-3H3,(H,22,25)
InChIKey SBNIFALQAIWIPG-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13538
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/1010486; UBI_ID: UBI-013541
Temperature 308 °C