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

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N-(3-chloro-4-fluorophenyl)-2-{[5-(1-methyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID EXopRurzxPn
InChI InChI=1S/C19H20ClFN6O2S/c1-26-7-6-16(25-26)18-23-24-19(27(18)10-13-3-2-8-29-13)30-11-17(28)22-12-4-5-15(21)14(20)9-12/h4-7,9,13H,2-3,8,10-11H2,1H3,(H,22,28)
InChIKey IZBWGPUNZBQGIH-UHFFFAOYSA-N
Mol Weight 450.92 g/mol
Molecular Formula C19H20ClFN6O2S
Exact Mass 450.104101 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1qZGwF0WayE
Name N-(3-chloro-4-fluorophenyl)-2-{[5-(1-methyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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/C19H20ClFN6O2S/c1-26-7-6-16(25-26)18-23-24-19(27(18)10-13-3-2-8-29-13)30-11-17(28)22-12-4-5-15(21)14(20)9-12/h4-7,9,13H,2-3,8,10-11H2,1H3,(H,22,28)
InChIKey IZBWGPUNZBQGIH-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_10599
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/1029528; Labnumber: KUZ0449; UZI_ID: UZI-010601
Temperature 308 °C