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2-{[5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dibromo-4-methylphenyl)acetamide

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2-{[5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dibromo-4-methylphenyl)acetamide
SpectraBase Compound ID 3Ih3goIEqFk
InChI InChI=1S/C25H21Br2ClN4O3S/c1-15-11-20(26)24(21(27)12-15)29-23(33)14-36-25-31-30-22(13-35-19-7-3-16(28)4-8-19)32(25)17-5-9-18(34-2)10-6-17/h3-12H,13-14H2,1-2H3,(H,29,33)
InChIKey FXLJTAKBKBRYAM-UHFFFAOYSA-N
Mol Weight 652.79 g/mol
Molecular Formula C25H21Br2ClN4O3S
Exact Mass 649.938965 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JxzkW1DchDq
Name 2-{[5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dibromo-4-methylphenyl)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/C25H21Br2ClN4O3S/c1-15-11-20(26)24(21(27)12-15)29-23(33)14-36-25-31-30-22(13-35-19-7-3-16(28)4-8-19)32(25)17-5-9-18(34-2)10-6-17/h3-12H,13-14H2,1-2H3,(H,29,33)
InChIKey FXLJTAKBKBRYAM-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11439
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: E06335; Labnumber: GRES-20860; SBI_ID: SBI-011442
Temperature 308 °C