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2-{[5-[(4-tert-butylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethoxy-2-nitrophenyl)acetamide

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2-{[5-[(4-tert-butylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethoxy-2-nitrophenyl)acetamide
SpectraBase Compound ID 6cBODndPA1K
InChI InChI=1S/C30H33N5O5S/c1-6-39-24-15-16-25(26(17-24)35(37)38)31-28(36)19-41-29-33-32-27(34(29)22-11-7-20(2)8-12-22)18-40-23-13-9-21(10-14-23)30(3,4)5/h7-17H,6,18-19H2,1-5H3,(H,31,36)
InChIKey RNAWHKKQEXAXGI-UHFFFAOYSA-N
Mol Weight 575.7 g/mol
Molecular Formula C30H33N5O5S
Exact Mass 575.22024 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FFS1JqqkU7d
Name 2-{[5-[(4-tert-butylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethoxy-2-nitrophenyl)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/C30H33N5O5S/c1-6-39-24-15-16-25(26(17-24)35(37)38)31-28(36)19-41-29-33-32-27(34(29)22-11-7-20(2)8-12-22)18-40-23-13-9-21(10-14-23)30(3,4)5/h7-17H,6,18-19H2,1-5H3,(H,31,36)
InChIKey RNAWHKKQEXAXGI-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5438
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: NMR/11221569; Labnumber: 0511; IOH_ID: IOH-005439