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2-{[4-(4-fluorophenyl)-5-(3,4,5-triethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
SpectraBase Compound ID ABN0AyxXazj
InChI InChI=1S/C29H31FN4O5S/c1-5-37-24-16-19(17-25(38-6-2)27(24)39-7-3)28-32-33-29(34(28)22-12-8-20(30)9-13-22)40-18-26(35)31-21-10-14-23(36-4)15-11-21/h8-17H,5-7,18H2,1-4H3,(H,31,35)
InChIKey WYYIHRQFSWZGFM-UHFFFAOYSA-N
Mol Weight 566.65 g/mol
Molecular Formula C29H31FN4O5S
Exact Mass 566.199919 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7jlF6an0Fsl
Name 2-{[4-(4-fluorophenyl)-5-(3,4,5-triethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)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/C29H31FN4O5S/c1-5-37-24-16-19(17-25(38-6-2)27(24)39-7-3)28-32-33-29(34(28)22-12-8-20(30)9-13-22)40-18-26(35)31-21-10-14-23(36-4)15-11-21/h8-17H,5-7,18H2,1-4H3,(H,31,35)
InChIKey WYYIHRQFSWZGFM-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_24888
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: D48651; Labnumber: VGU-0022783; SBI_ID: SBI-024892
Temperature 308 °C