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

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2-({4-allyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-fluorophenyl)acetamide
SpectraBase Compound ID AVaAQXX4O5y
InChI InChI=1S/C21H21FN4O2S/c1-3-12-26-19(13-28-16-10-8-15(2)9-11-16)24-25-21(26)29-14-20(27)23-18-7-5-4-6-17(18)22/h3-11H,1,12-14H2,2H3,(H,23,27)
InChIKey KTXAPWMNOWSUMJ-UHFFFAOYSA-N
Mol Weight 412.48 g/mol
Molecular Formula C21H21FN4O2S
Exact Mass 412.136925 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4mq8LO0m2sN
Name 2-({4-allyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-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/C21H21FN4O2S/c1-3-12-26-19(13-28-16-10-8-15(2)9-11-16)24-25-21(26)29-14-20(27)23-18-7-5-4-6-17(18)22/h3-11H,1,12-14H2,2H3,(H,23,27)
InChIKey KTXAPWMNOWSUMJ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11360
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: E06672; Labnumber: GRES-27266; SBI_ID: SBI-011363
Temperature 318 °C