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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-methyl-5-(trifluoromethyl)-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-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
SpectraBase Compound ID BXGVjRtz66u
InChI InChI=1S/C17H18F7N7O2S/c1-3-29-11(6-30-10(14(20)21)4-9(28-30)13(18)19)25-26-15(29)34-7-12(32)31-16(33,17(22,23)24)5-8(2)27-31/h4,13-14,33H,3,5-7H2,1-2H3
InChIKey AURQAYIMZBKQFT-UHFFFAOYSA-N
Mol Weight 517.43 g/mol
Molecular Formula C17H18F7N7O2S
Exact Mass 517.113091 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FQhXnZzSBDK
Name 1-{[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-3-methyl-5-(trifluoromethyl)-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/C17H18F7N7O2S/c1-3-29-11(6-30-10(14(20)21)4-9(28-30)13(18)19)25-26-15(29)34-7-12(32)31-16(33,17(22,23)24)5-8(2)27-31/h4,13-14,33H,3,5-7H2,1-2H3
InChIKey AURQAYIMZBKQFT-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_9226
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/1094130; Labnumber: HY-PRZCF/3143; UZI_ID: UZI-009228
Temperature 308 °C