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2-{[5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-fluorophenyl)acetamide

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2-{[5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-fluorophenyl)acetamide
SpectraBase Compound ID K3GejY0pWs
InChI InChI=1S/C17H17Cl2FN6OS/c1-4-26-16(15-14(19)9(2)24-25(15)3)22-23-17(26)28-8-13(27)21-10-5-6-12(20)11(18)7-10/h5-7H,4,8H2,1-3H3,(H,21,27)
InChIKey CSJOUHJFCZGPKL-UHFFFAOYSA-N
Mol Weight 443.33 g/mol
Molecular Formula C17H17Cl2FN6OS
Exact Mass 442.054564 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GR0iZWVn0mM
Name 2-{[5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-fluorophenyl)acetamide
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/C17H17Cl2FN6OS/c1-4-26-16(15-14(19)9(2)24-25(15)3)22-23-17(26)28-8-13(27)21-10-5-6-12(20)11(18)7-10/h5-7H,4,8H2,1-3H3,(H,21,27)
InChIKey CSJOUHJFCZGPKL-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11318
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/1026211; Labnumber: NIV0993; UZI_ID: UZI-011320
Temperature 308 °C