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4-allyl-3-(4-tert-butylphenyl)-5-[(2-fluorobenzyl)sulfanyl]-4H-1,2,4-triazole

View entire compound with spectra: 1 NMR

4-allyl-3-(4-tert-butylphenyl)-5-[(2-fluorobenzyl)sulfanyl]-4H-1,2,4-triazole
SpectraBase Compound ID 74t1ObDtcmO
InChI InChI=1S/C22H24FN3S/c1-5-14-26-20(16-10-12-18(13-11-16)22(2,3)4)24-25-21(26)27-15-17-8-6-7-9-19(17)23/h5-13H,1,14-15H2,2-4H3
InChIKey FIBIJBWMEHUCRJ-UHFFFAOYSA-N
Mol Weight 381.51 g/mol
Molecular Formula C22H24FN3S
Exact Mass 381.167497 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DgqHBivtzBf
Name 4-allyl-3-(4-tert-butylphenyl)-5-[(2-fluorobenzyl)sulfanyl]-4H-1,2,4-triazole
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/C22H24FN3S/c1-5-14-26-20(16-10-12-18(13-11-16)22(2,3)4)24-25-21(26)27-15-17-8-6-7-9-19(17)23/h5-13H,1,14-15H2,2-4H3
InChIKey FIBIJBWMEHUCRJ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11727
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: E08664; Labnumber: GRES-37326; SBI_ID: SBI-011730
Synonyms 4-allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl 2-fluorobenzyl sulfide
Temperature 308 °C