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methyl 2-({[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

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methyl 2-({[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID 2VLTwZpuUzf
InChI InChI=1S/C18H19F4N3O3S/c1-28-18(27)14-9-5-3-2-4-6-12(9)29-17(14)23-13(26)8-25-11(16(21)22)7-10(24-25)15(19)20/h7,15-16H,2-6,8H2,1H3,(H,23,26)
InChIKey FCBUNRVXXRIYMO-UHFFFAOYSA-N
Mol Weight 433.42 g/mol
Molecular Formula C18H19F4N3O3S
Exact Mass 433.108325 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J7M98mpZfLy
Name methyl 2-({[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
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/C18H19F4N3O3S/c1-28-18(27)14-9-5-3-2-4-6-12(9)29-17(14)23-13(26)8-25-11(16(21)22)7-10(24-25)15(19)20/h7,15-16H,2-6,8H2,1H3,(H,23,26)
InChIKey FCBUNRVXXRIYMO-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_18570
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/1026506; Labnumber: UBI6191; UZI_ID: UZI-018577
Temperature 308 °C