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2-{[4-allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)acetamide
SpectraBase Compound ID 1jU5gP469jI
InChI InChI=1S/C25H30N4O2S/c1-7-14-29-23(18-9-11-19(12-10-18)25(3,4)5)27-28-24(29)32-16-22(30)26-20-15-17(2)8-13-21(20)31-6/h7-13,15H,1,14,16H2,2-6H3,(H,26,30)
InChIKey ASMRLMCHFODKIA-UHFFFAOYSA-N
Mol Weight 450.6 g/mol
Molecular Formula C25H30N4O2S
Exact Mass 450.208947 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 76nfo0Jjw9G
Name 2-{[4-allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)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/C25H30N4O2S/c1-7-14-29-23(18-9-11-19(12-10-18)25(3,4)5)27-28-24(29)32-16-22(30)26-20-15-17(2)8-13-21(20)31-6/h7-13,15H,1,14,16H2,2-6H3,(H,26,30)
InChIKey ASMRLMCHFODKIA-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4568
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: D99191; Labnumber: GRES-32909; SBI_ID: SBI-004570
Temperature 315 °C