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N-[1,1'-biphenyl]-2-yl-2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID ECBozAyrVRB
InChI InChI=1S/C28H30N4OS/c1-5-32-26(21-15-17-22(18-16-21)28(2,3)4)30-31-27(32)34-19-25(33)29-24-14-10-9-13-23(24)20-11-7-6-8-12-20/h6-18H,5,19H2,1-4H3,(H,29,33)
InChIKey XNKXSNUHKJWQPG-UHFFFAOYSA-N
Mol Weight 470.64 g/mol
Molecular Formula C28H30N4OS
Exact Mass 470.214033 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1rlLZL7b0Hu
Name N-[1,1'-biphenyl]-2-yl-2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}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/C28H30N4OS/c1-5-32-26(21-15-17-22(18-16-21)28(2,3)4)30-31-27(32)34-19-25(33)29-24-14-10-9-13-23(24)20-11-7-6-8-12-20/h6-18H,5,19H2,1-4H3,(H,29,33)
InChIKey XNKXSNUHKJWQPG-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4387
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: D98927; Labnumber: GRES-28605; SBI_ID: SBI-004389
Temperature 306 °C