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 Google Search
Mol Weight	594.66 g/mol
Molecular Formula	C30H31FN4O6S
Exact Mass	594.194834 g/mol

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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