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

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2-{[4-allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-naphthyl)acetamide
SpectraBase Compound ID IXAKmARiXeC
InChI InChI=1S/C27H28N4OS/c1-5-17-31-25(20-13-15-21(16-14-20)27(2,3)4)29-30-26(31)33-18-24(32)28-23-12-8-10-19-9-6-7-11-22(19)23/h5-16H,1,17-18H2,2-4H3,(H,28,32)
InChIKey CDIYOKIZYAKKCQ-UHFFFAOYSA-N
Mol Weight 456.61 g/mol
Molecular Formula C27H28N4OS
Exact Mass 456.198383 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4lciFQUTOB0
Name 2-{[4-allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-naphthyl)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/C27H28N4OS/c1-5-17-31-25(20-13-15-21(16-14-20)27(2,3)4)29-30-26(31)33-18-24(32)28-23-12-8-10-19-9-6-7-11-22(19)23/h5-16H,1,17-18H2,2-4H3,(H,28,32)
InChIKey CDIYOKIZYAKKCQ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14615
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: D98780; Labnumber: GRES-26181; SBI_ID: SBI-014618
Temperature 318 °C