diethyl 1-{2-[(7E)-7-(4-fluorobenzylidene)-3-(4-fluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate

SpectraBase Compound ID	FlvRuiWutZv
InChI	InChI=1S/C30H29F2N5O5/c1-3-41-29(39)26-28(30(40)42-4-2)36(35-33-26)17-24(38)37-27(19-10-14-22(32)15-11-19)23-7-5-6-20(25(23)34-37)16-18-8-12-21(31)13-9-18/h8-16,23,27H,3-7,17H2,1-2H3/b20-16+
InChIKey	OTPJPMUYXVMECL-CAPFRKAQSA-N Google Search
Mol Weight	577.59 g/mol
Molecular Formula	C30H29F2N5O5
Exact Mass	577.213675 g/mol

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SpectraBase Spectrum ID	5MpE85uzOdO
Name	diethyl 1-{2-[(7E)-7-(4-fluorobenzylidene)-3-(4-fluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
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/C30H29F2N5O5/c1-3-41-29(39)26-28(30(40)42-4-2)36(35-33-26)17-24(38)37-27(19-10-14-22(32)15-11-19)23-7-5-6-20(25(23)34-37)16-18-8-12-21(31)13-9-18/h8-16,23,27H,3-7,17H2,1-2H3/b20-16+
InChIKey	OTPJPMUYXVMECL-CAPFRKAQSA-N
NMR Offset	17.5285
NMR Spectrometer Frequency	500.138
Observed nucleus	1H
Origin	1H_UBI_21270_14720
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: UZI/1020044; UBI_ID: UBI-014723
Synonyms	diethyl 1-{2-[7-(4-fluorobenzylidene)-3-(4-fluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Temperature	300 °C