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2-{[4-allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-isopropylphenyl)acetamide

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2-{[4-allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-isopropylphenyl)acetamide
SpectraBase Compound ID IuufyJR6jZv
InChI InChI=1S/C26H32N4OS/c1-7-16-30-24(20-8-12-21(13-9-20)26(4,5)6)28-29-25(30)32-17-23(31)27-22-14-10-19(11-15-22)18(2)3/h7-15,18H,1,16-17H2,2-6H3,(H,27,31)
InChIKey SMLYEZMEVCNDAS-UHFFFAOYSA-N
Mol Weight 448.6 g/mol
Molecular Formula C26H32N4OS
Exact Mass 448.229683 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5aEKXAS8B1I
Name 2-{[4-allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-isopropylphenyl)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/C26H32N4OS/c1-7-16-30-24(20-8-12-21(13-9-20)26(4,5)6)28-29-25(30)32-17-23(31)27-22-14-10-19(11-15-22)18(2)3/h7-15,18H,1,16-17H2,2-6H3,(H,27,31)
InChIKey SMLYEZMEVCNDAS-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4848
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: E08240; Labnumber: GRES-36825; SBI_ID: SBI-004850
Temperature 315 °C