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methyl 4-[({[4-(4-fluorophenyl)-5-(3,4,5-triethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
SpectraBase Compound ID HO7iuj36eyK
InChI InChI=1S/C30H31FN4O6S/c1-5-39-24-16-20(17-25(40-6-2)27(24)41-7-3)28-33-34-30(35(28)23-14-10-21(31)11-15-23)42-18-26(36)32-22-12-8-19(9-13-22)29(37)38-4/h8-17H,5-7,18H2,1-4H3,(H,32,36)
InChIKey OHVKBWSGSDSHPV-UHFFFAOYSA-N
Mol Weight 594.66 g/mol
Molecular Formula C30H31FN4O6S
Exact Mass 594.194834 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1dgUQlnC2px
Name methyl 4-[({[4-(4-fluorophenyl)-5-(3,4,5-triethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
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/C30H31FN4O6S/c1-5-39-24-16-20(17-25(40-6-2)27(24)41-7-3)28-33-34-30(35(28)23-14-10-21(31)11-15-23)42-18-26(36)32-22-12-8-19(9-13-22)29(37)38-4/h8-17H,5-7,18H2,1-4H3,(H,32,36)
InChIKey OHVKBWSGSDSHPV-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_24889
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: D48652; Labnumber: VGU-0022784; SBI_ID: SBI-024893
Temperature 308 °C