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N-(2-tert-butylphenyl)-2-{[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 7pDQr90XWEl
InChI InChI=1S/C28H30N4O2S/c1-19-10-12-20(13-11-19)26-30-31-27(32(26)21-14-16-22(34-5)17-15-21)35-18-25(33)29-24-9-7-6-8-23(24)28(2,3)4/h6-17H,18H2,1-5H3,(H,29,33)
InChIKey ICXUZVFJKMQRJC-UHFFFAOYSA-N
Mol Weight 486.63 g/mol
Molecular Formula C28H30N4O2S
Exact Mass 486.208947 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BssZc3pujuc
Name N-(2-tert-butylphenyl)-2-{[4-(4-methoxyphenyl)-5-(4-methylphenyl)-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/C28H30N4O2S/c1-19-10-12-20(13-11-19)26-30-31-27(32(26)21-14-16-22(34-5)17-15-21)35-18-25(33)29-24-9-7-6-8-23(24)28(2,3)4/h6-17H,18H2,1-5H3,(H,29,33)
InChIKey ICXUZVFJKMQRJC-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4505
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: D99057; Labnumber: GRES-30803; SBI_ID: SBI-004507
Temperature 315 °C