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2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-fluorophenyl)acetamide
SpectraBase Compound ID DrUDDp1NRGm
InChI InChI=1S/C19H18ClFN4O2S/c1-2-25-17(11-27-14-9-7-13(20)8-10-14)23-24-19(25)28-12-18(26)22-16-6-4-3-5-15(16)21/h3-10H,2,11-12H2,1H3,(H,22,26)
InChIKey XSVTZHBYFWJHLT-UHFFFAOYSA-N
Mol Weight 420.89 g/mol
Molecular Formula C19H18ClFN4O2S
Exact Mass 420.082303 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JYQXmxzxygP
Name 2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-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/C19H18ClFN4O2S/c1-2-25-17(11-27-14-9-7-13(20)8-10-14)23-24-19(25)28-12-18(26)22-16-6-4-3-5-15(16)21/h3-10H,2,11-12H2,1H3,(H,22,26)
InChIKey XSVTZHBYFWJHLT-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11486
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: E06394; Labnumber: GRES-21921; SBI_ID: SBI-011489
Temperature 308 °C