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3,5-bis(difluoromethyl)-1-[({4-ethyl-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]-4,5-dihydro-1H-pyrazol-5-ol

View entire compound with spectra: 1 NMR

3,5-bis(difluoromethyl)-1-[({4-ethyl-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]-4,5-dihydro-1H-pyrazol-5-ol
SpectraBase Compound ID CiFfJGUFous
InChI InChI=1S/C16H16F7N7O2S/c1-3-29-12(8-4-9(16(21,22)23)27-28(8)2)24-25-14(29)33-6-10(31)30-15(32,13(19)20)5-7(26-30)11(17)18/h4,11,13,32H,3,5-6H2,1-2H3
InChIKey LNUMZFVIMRQOPI-UHFFFAOYSA-N
Mol Weight 503.4 g/mol
Molecular Formula C16H16F7N7O2S
Exact Mass 503.097441 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9gZK18pbLWA
Name 3,5-bis(difluoromethyl)-1-[({4-ethyl-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]-4,5-dihydro-1H-pyrazol-5-ol
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/C16H16F7N7O2S/c1-3-29-12(8-4-9(16(21,22)23)27-28(8)2)24-25-14(29)33-6-10(31)30-15(32,13(19)20)5-7(26-30)11(17)18/h4,11,13,32H,3,5-6H2,1-2H3
InChIKey LNUMZFVIMRQOPI-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_9229
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/1116431; Labnumber: HY-PRZCF/3150; UZI_ID: UZI-009231
Temperature 305 °C