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2-{[4-allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide
SpectraBase Compound ID Gijh7WDK3ub
InChI InChI=1S/C25H30N4OS/c1-7-12-29-23(19-8-10-20(11-9-19)25(4,5)6)27-28-24(29)31-16-22(30)26-21-14-17(2)13-18(3)15-21/h7-11,13-15H,1,12,16H2,2-6H3,(H,26,30)
InChIKey RYOYFJXPNUWVMM-UHFFFAOYSA-N
Mol Weight 434.6 g/mol
Molecular Formula C25H30N4OS
Exact Mass 434.214033 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2vN6Tu9lsLL
Name 2-{[4-allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide
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/C25H30N4OS/c1-7-12-29-23(19-8-10-20(11-9-19)25(4,5)6)27-28-24(29)31-16-22(30)26-21-14-17(2)13-18(3)15-21/h7-11,13-15H,1,12,16H2,2-6H3,(H,26,30)
InChIKey RYOYFJXPNUWVMM-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4479
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: D99017; Labnumber: GRES-30184; SBI_ID: SBI-004481
Temperature 315 °C