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2-{[4-allyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID LRgi4eGdBnE
InChI InChI=1S/C22H18F6N4O2S/c1-3-8-32-19(16-6-4-5-7-17(16)34-2)30-31-20(32)35-12-18(33)29-15-10-13(21(23,24)25)9-14(11-15)22(26,27)28/h3-7,9-11H,1,8,12H2,2H3,(H,29,33)
InChIKey ZDQXKAYMWPCPBC-UHFFFAOYSA-N
Mol Weight 516.46 g/mol
Molecular Formula C22H18F6N4O2S
Exact Mass 516.105466 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J9sg26JbcFf
Name 2-{[4-allyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3,5-bis(trifluoromethyl)phenyl]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/C22H18F6N4O2S/c1-3-8-32-19(16-6-4-5-7-17(16)34-2)30-31-20(32)35-12-18(33)29-15-10-13(21(23,24)25)9-14(11-15)22(26,27)28/h3-7,9-11H,1,8,12H2,2H3,(H,29,33)
InChIKey ZDQXKAYMWPCPBC-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11096
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: E05808; Labnumber: GRES-10710; SBI_ID: SBI-011099
Temperature 318 °C