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2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluorophenyl)acetamide
SpectraBase Compound ID CynwvFidzFD
InChI InChI=1S/C20H19FN4O2S/c1-2-11-25-18(13-27-17-9-4-3-5-10-17)23-24-20(25)28-14-19(26)22-16-8-6-7-15(21)12-16/h2-10,12H,1,11,13-14H2,(H,22,26)
InChIKey VPHUUKDRXIHVLP-UHFFFAOYSA-N
Mol Weight 398.46 g/mol
Molecular Formula C20H19FN4O2S
Exact Mass 398.121275 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Kj7bJkxwlIe
Name 2-{[4-allyl-5-(phenoxymethyl)-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/C20H19FN4O2S/c1-2-11-25-18(13-27-17-9-4-3-5-10-17)23-24-20(25)28-14-19(26)22-16-8-6-7-15(21)12-16/h2-10,12H,1,11,13-14H2,(H,22,26)
InChIKey VPHUUKDRXIHVLP-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11179
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: E06195; Labnumber: GRES-18046; SBI_ID: SBI-011182
Temperature 306 °C