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2-{[4-allyl-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluorophenyl)acetamide

View entire compound with spectra: 1 NMR

2-{[4-allyl-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
SpectraBase Compound ID C42QlDgJKND
InChI InChI=1S/C19H16ClFN4OS/c1-2-11-25-18(13-3-5-14(20)6-4-13)23-24-19(25)27-12-17(26)22-16-9-7-15(21)8-10-16/h2-10H,1,11-12H2,(H,22,26)
InChIKey ITMXEDYKZKBFOP-UHFFFAOYSA-N
Mol Weight 402.88 g/mol
Molecular Formula C19H16ClFN4OS
Exact Mass 402.071738 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CuELGtfbhqZ
Name 2-{[4-allyl-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(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/C19H16ClFN4OS/c1-2-11-25-18(13-3-5-14(20)6-4-13)23-24-19(25)27-12-17(26)22-16-9-7-15(21)8-10-16/h2-10H,1,11-12H2,(H,22,26)
InChIKey ITMXEDYKZKBFOP-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14626
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: D98796; Labnumber: GRES-26424; SBI_ID: SBI-014629
Temperature 318 °C