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N-(4-bromophenyl)-2-{[4-(2-furylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID HbIQszzAXLW
InChI InChI=1S/C22H19BrN4O3S/c1-29-18-5-2-4-15(12-18)21-25-26-22(27(21)13-19-6-3-11-30-19)31-14-20(28)24-17-9-7-16(23)8-10-17/h2-12H,13-14H2,1H3,(H,24,28)
InChIKey BOPSIWWRZUXBEU-UHFFFAOYSA-N
Mol Weight 499.38 g/mol
Molecular Formula C22H19BrN4O3S
Exact Mass 498.036125 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I40JIUZLKqq
Name N-(4-bromophenyl)-2-{[4-(2-furylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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/C22H19BrN4O3S/c1-29-18-5-2-4-15(12-18)21-25-26-22(27(21)13-19-6-3-11-30-19)31-14-20(28)24-17-9-7-16(23)8-10-17/h2-12H,13-14H2,1H3,(H,24,28)
InChIKey BOPSIWWRZUXBEU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11075
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: E05762; Labnumber: GRES-09882; SBI_ID: SBI-011078
Temperature 318 °C