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2-({4-allyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-bromophenyl)acetamide

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2-({4-allyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-bromophenyl)acetamide
SpectraBase Compound ID GAf8bICqcgR
InChI InChI=1S/C21H21BrN4O2S/c1-3-12-26-19(13-28-18-10-4-15(2)5-11-18)24-25-21(26)29-14-20(27)23-17-8-6-16(22)7-9-17/h3-11H,1,12-14H2,2H3,(H,23,27)
InChIKey HLGYVVLXPZCKFK-UHFFFAOYSA-N
Mol Weight 473.39 g/mol
Molecular Formula C21H21BrN4O2S
Exact Mass 472.05686 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8ETb38hg4FH
Name 2-({4-allyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-bromophenyl)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/C21H21BrN4O2S/c1-3-12-26-19(13-28-18-10-4-15(2)5-11-18)24-25-21(26)29-14-20(27)23-17-8-6-16(22)7-9-17/h3-11H,1,12-14H2,2H3,(H,23,27)
InChIKey HLGYVVLXPZCKFK-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11549
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: E06482; Labnumber: GRES-23219; SBI_ID: SBI-011552
Temperature 318 °C