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methyl {[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

View entire compound with spectra: 1 NMR

methyl {[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
SpectraBase Compound ID 8YGWOiiEYRa
InChI InChI=1S/C22H25N3O3S/c1-22(2,3)16-8-6-15(7-9-16)20-23-24-21(29-14-19(26)28-5)25(20)17-10-12-18(27-4)13-11-17/h6-13H,14H2,1-5H3
InChIKey WCYLTWJEOHTNMD-UHFFFAOYSA-N
Mol Weight 411.52 g/mol
Molecular Formula C22H25N3O3S
Exact Mass 411.161663 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EL0YzVZkB9t
Name methyl {[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
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/C22H25N3O3S/c1-22(2,3)16-8-6-15(7-9-16)20-23-24-21(29-14-19(26)28-5)25(20)17-10-12-18(27-4)13-11-17/h6-13H,14H2,1-5H3
InChIKey WCYLTWJEOHTNMD-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_19338
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: D13303; Labnumber: GRES-04744; SBI_ID: SBI-019341
Temperature 308 °C