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2-{[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-isopropylphenyl)acetamide

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2-{[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-isopropylphenyl)acetamide
SpectraBase Compound ID yo15VmYwq9
InChI InChI=1S/C28H30N4O3S/c1-5-35-23-16-12-21(13-17-23)32-27(20-10-14-22(34-4)15-11-20)30-31-28(32)36-18-26(33)29-25-9-7-6-8-24(25)19(2)3/h6-17,19H,5,18H2,1-4H3,(H,29,33)
InChIKey NBLXUUDFTFKXGQ-UHFFFAOYSA-N
Mol Weight 502.63 g/mol
Molecular Formula C28H30N4O3S
Exact Mass 502.203862 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Co5GXWZYWN5
Name 2-{[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-isopropylphenyl)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/C28H30N4O3S/c1-5-35-23-16-12-21(13-17-23)32-27(20-10-14-22(34-4)15-11-20)30-31-28(32)36-18-26(33)29-25-9-7-6-8-24(25)19(2)3/h6-17,19H,5,18H2,1-4H3,(H,29,33)
InChIKey NBLXUUDFTFKXGQ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_3838
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: D98111; Labnumber: GRES-16002; SBI_ID: SBI-003840
Temperature 318 °C