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2-({4-allyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-bromo-4,6-difluorophenyl)acetamide
SpectraBase Compound ID 7SQ67etKhBB
InChI InChI=1S/C21H19BrF2N4O2S/c1-3-8-28-18(11-30-15-6-4-13(2)5-7-15)26-27-21(28)31-12-19(29)25-20-16(22)9-14(23)10-17(20)24/h3-7,9-10H,1,8,11-12H2,2H3,(H,25,29)
InChIKey ORAJHPSUUQQYAW-UHFFFAOYSA-N
Mol Weight 509.37 g/mol
Molecular Formula C21H19BrF2N4O2S
Exact Mass 508.038016 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3NunSgPODE7
Name 2-({4-allyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-bromo-4,6-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/C21H19BrF2N4O2S/c1-3-8-28-18(11-30-15-6-4-13(2)5-7-15)26-27-21(28)31-12-19(29)25-20-16(22)9-14(23)10-17(20)24/h3-7,9-10H,1,8,11-12H2,2H3,(H,25,29)
InChIKey ORAJHPSUUQQYAW-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11083
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: E05779; Labnumber: GRES-10192; SBI_ID: SBI-011086
Temperature 318 °C