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

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2-{[4-allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethylphenyl)acetamide
SpectraBase Compound ID 4tYR9OuUofx
InChI InChI=1S/C25H30N4OS/c1-6-16-29-23(19-12-14-20(15-13-19)25(3,4)5)27-28-24(29)31-17-22(30)26-21-11-9-8-10-18(21)7-2/h6,8-15H,1,7,16-17H2,2-5H3,(H,26,30)
InChIKey CGNAIAUXNHSTRB-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 3X04j5Pn1kL
Name 2-{[4-allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethylphenyl)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/c1-6-16-29-23(19-12-14-20(15-13-19)25(3,4)5)27-28-24(29)31-17-22(30)26-21-11-9-8-10-18(21)7-2/h6,8-15H,1,7,16-17H2,2-5H3,(H,26,30)
InChIKey CGNAIAUXNHSTRB-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14385
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: D98354; Labnumber: GRES-19706; SBI_ID: SBI-014388
Temperature 308 °C