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dimethyl 5-({[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-3-methyl-2,4-thiophenedicarboxylate
SpectraBase Compound ID BIlg65i96RY
InChI InChI=1S/C18H18F3N3O5S/c1-8-13(16(26)28-2)15(30-14(8)17(27)29-3)22-12(25)7-24-10(9-4-5-9)6-11(23-24)18(19,20)21/h6,9H,4-5,7H2,1-3H3,(H,22,25)
InChIKey UVNNHDSXWFWKPA-UHFFFAOYSA-N
Mol Weight 445.41 g/mol
Molecular Formula C18H18F3N3O5S
Exact Mass 445.091926 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FeaxRO2tfQU
Name dimethyl 5-({[5-cyclopropyl-3-(trifluoromethyl)-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/C18H18F3N3O5S/c1-8-13(16(26)28-2)15(30-14(8)17(27)29-3)22-12(25)7-24-10(9-4-5-9)6-11(23-24)18(19,20)21/h6,9H,4-5,7H2,1-3H3,(H,22,25)
InChIKey UVNNHDSXWFWKPA-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_18557
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/1027435; Labnumber: UBI5082; UZI_ID: UZI-018564
Temperature 318 °C