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2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3,4-difluorophenyl)acetamide
SpectraBase Compound ID LBjoi1Bs3EY
InChI InChI=1S/C19H17ClF2N4O2S/c1-2-26-17(10-28-14-6-3-12(20)4-7-14)24-25-19(26)29-11-18(27)23-13-5-8-15(21)16(22)9-13/h3-9H,2,10-11H2,1H3,(H,23,27)
InChIKey IBVLKSFFTBBDTC-UHFFFAOYSA-N
Mol Weight 438.88 g/mol
Molecular Formula C19H17ClF2N4O2S
Exact Mass 438.072881 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IK18NSW8PeM
Name 2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3,4-difluorophenyl)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/C19H17ClF2N4O2S/c1-2-26-17(10-28-14-6-3-12(20)4-7-14)24-25-19(26)29-11-18(27)23-13-5-8-15(21)16(22)9-13/h3-9H,2,10-11H2,1H3,(H,23,27)
InChIKey IBVLKSFFTBBDTC-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11140
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: E06141; Labnumber: GRES-16932; SBI_ID: SBI-011143
Temperature 306 °C