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3,3-dimethyl-1-{[5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-2-butanone
SpectraBase Compound ID DXj2rfmz1V7
InChI InChI=1S/C22H25N3OS/c1-15-9-11-18(12-10-15)25-20(17-8-6-7-16(2)13-17)23-24-21(25)27-14-19(26)22(3,4)5/h6-13H,14H2,1-5H3
InChIKey YWQSSPWYFQWTSM-UHFFFAOYSA-N
Mol Weight 379.52 g/mol
Molecular Formula C22H25N3OS
Exact Mass 379.171834 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IN7JnjQ2luc
Name 3,3-dimethyl-1-{[5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-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/C22H25N3OS/c1-15-9-11-18(12-10-15)25-20(17-8-6-7-16(2)13-17)23-24-21(25)27-14-19(26)22(3,4)5/h6-13H,14H2,1-5H3
InChIKey YWQSSPWYFQWTSM-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4938
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: E08399; Labnumber: GRES-37015; SBI_ID: SBI-004940
Temperature 308 °C