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

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2-{[4-allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(benzyloxy)phenyl]acetamide
SpectraBase Compound ID 4b8wzuwCPi8
InChI InChI=1S/C30H32N4O2S/c1-5-19-34-28(23-11-13-24(14-12-23)30(2,3)4)32-33-29(34)37-21-27(35)31-25-15-17-26(18-16-25)36-20-22-9-7-6-8-10-22/h5-18H,1,19-21H2,2-4H3,(H,31,35)
InChIKey GEMFWTMCGLJQGW-UHFFFAOYSA-N
Mol Weight 512.7 g/mol
Molecular Formula C30H32N4O2S
Exact Mass 512.224597 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HupmTEslGWO
Name 2-{[4-allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(benzyloxy)phenyl]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/C30H32N4O2S/c1-5-19-34-28(23-11-13-24(14-12-23)30(2,3)4)32-33-29(34)37-21-27(35)31-25-15-17-26(18-16-25)36-20-22-9-7-6-8-10-22/h5-18H,1,19-21H2,2-4H3,(H,31,35)
InChIKey GEMFWTMCGLJQGW-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14627
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: D98797; Labnumber: GRES-26452; SBI_ID: SBI-014630
Temperature 318 °C