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2-{[4-allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide
SpectraBase Compound ID Lw3eNN4RJ2Y
InChI InChI=1S/C29H30N4O2S/c1-5-19-33-27(21-11-13-22(14-12-21)29(2,3)4)31-32-28(33)36-20-26(34)30-23-15-17-25(18-16-23)35-24-9-7-6-8-10-24/h5-18H,1,19-20H2,2-4H3,(H,30,34)
InChIKey QBFFVJAHLQUXCO-UHFFFAOYSA-N
Mol Weight 498.65 g/mol
Molecular Formula C29H30N4O2S
Exact Mass 498.208947 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9Vko7ip94RA
Name 2-{[4-allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)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/C29H30N4O2S/c1-5-19-33-27(21-11-13-22(14-12-21)29(2,3)4)31-32-28(33)36-20-26(34)30-23-15-17-25(18-16-23)35-24-9-7-6-8-10-24/h5-18H,1,19-20H2,2-4H3,(H,30,34)
InChIKey QBFFVJAHLQUXCO-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4488
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: D99031; Labnumber: GRES-30373; SBI_ID: SBI-004490
Temperature 315 °C