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2-{[4-allyl-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluorophenyl)acetamide
SpectraBase Compound ID F2m6O7BTocs
InChI InChI=1S/C19H16ClFN4OS/c1-2-10-25-18(13-6-8-14(20)9-7-13)23-24-19(25)27-12-17(26)22-16-5-3-4-15(21)11-16/h2-9,11H,1,10,12H2,(H,22,26)
InChIKey BAAFWGCJCBFDRW-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 8GQ8ftJ1jQ7
Name 2-{[4-allyl-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-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/c1-2-10-25-18(13-6-8-14(20)9-7-13)23-24-19(25)27-12-17(26)22-16-5-3-4-15(21)11-16/h2-9,11H,1,10,12H2,(H,22,26)
InChIKey BAAFWGCJCBFDRW-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14540
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: D98666; Labnumber: GRES-24579; SBI_ID: SBI-014543
Temperature 308 °C