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2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(2,4-difluorophenyl)ethanone

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2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(2,4-difluorophenyl)ethanone
SpectraBase Compound ID 673L7jxMJ52
InChI InChI=1S/C27H25F2N3O2S/c1-27(2,3)18-9-12-21(13-10-18)34-16-25-30-31-26(32(25)20-7-5-4-6-8-20)35-17-24(33)22-14-11-19(28)15-23(22)29/h4-15H,16-17H2,1-3H3
InChIKey SRVRXAHMJNXUJJ-UHFFFAOYSA-N
Mol Weight 493.57 g/mol
Molecular Formula C27H25F2N3O2S
Exact Mass 493.163555 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FXfM2SmuvFR
Name 2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(2,4-difluorophenyl)ethanone
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/C27H25F2N3O2S/c1-27(2,3)18-9-12-21(13-10-18)34-16-25-30-31-26(32(25)20-7-5-4-6-8-20)35-17-24(33)22-14-11-19(28)15-23(22)29/h4-15H,16-17H2,1-3H3
InChIKey SRVRXAHMJNXUJJ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3171
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: 9315396; UBI_ID: UBI-003172
Temperature 308 °C