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

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1-{[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-3,5-bis(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
SpectraBase Compound ID LW7SuPPWC8N
InChI InChI=1S/C17H17F8N7O2S/c1-2-30-10(5-31-9(14(22)23)3-7(28-31)12(18)19)26-27-16(30)35-6-11(33)32-17(34,15(24)25)4-8(29-32)13(20)21/h3,12-15,34H,2,4-6H2,1H3
InChIKey GTPXEVZDBOIXCI-UHFFFAOYSA-N
Mol Weight 535.42 g/mol
Molecular Formula C17H17F8N7O2S
Exact Mass 535.103669 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KAtpYfGr32b
Name 1-{[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-3,5-bis(difluoromethyl)-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/C17H17F8N7O2S/c1-2-30-10(5-31-9(14(22)23)3-7(28-31)12(18)19)26-27-16(30)35-6-11(33)32-17(34,15(24)25)4-8(29-32)13(20)21/h3,12-15,34H,2,4-6H2,1H3
InChIKey GTPXEVZDBOIXCI-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_9227
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/1087072; Labnumber: HY-PRZCF/3144; UZI_ID: UZI-009229
Temperature 308 °C