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

View entire compound with spectra: 1 NMR

1-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethyl-2-butanone
SpectraBase Compound ID 8z4mbWDhMyA
InChI InChI=1S/C19H27N3OS/c1-18(2,3)14-10-8-13(9-11-14)16-20-21-17(22(16)7)24-12-15(23)19(4,5)6/h8-11H,12H2,1-7H3
InChIKey TVYSOAKNXRUQJO-UHFFFAOYSA-N
Mol Weight 345.51 g/mol
Molecular Formula C19H27N3OS
Exact Mass 345.187484 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9tXNTMwjauc
Name 1-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethyl-2-butanone
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/C19H27N3OS/c1-18(2,3)14-10-8-13(9-11-14)16-20-21-17(22(16)7)24-12-15(23)19(4,5)6/h8-11H,12H2,1-7H3
InChIKey TVYSOAKNXRUQJO-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4943
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: E08405; Labnumber: GRES-37023; SBI_ID: SBI-004945
Temperature 308 °C