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

SpectraBase Compound ID	B0ELaq1Hs7t
InChI	InChI=1S/C32H35N5O5/c1-5-41-31(39)28-30(32(40)42-6-2)36(35-33-28)19-26(38)37-29(23-16-12-21(4)13-17-23)25-9-7-8-24(27(25)34-37)18-22-14-10-20(3)11-15-22/h10-18,25,29H,5-9,19H2,1-4H3/b24-18+
InChIKey	PSXNFYLNHSUHMF-HKOYGPOVSA-N Google Search
Mol Weight	569.7 g/mol
Molecular Formula	C32H35N5O5
Exact Mass	569.263819 g/mol

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SpectraBase Spectrum ID	Fb96kdGdDU
Name	diethyl 1-{2-[(7E)-7-(4-methylbenzylidene)-3-(4-methylphenyl)-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/C32H35N5O5/c1-5-41-31(39)28-30(32(40)42-6-2)36(35-33-28)19-26(38)37-29(23-16-12-21(4)13-17-23)25-9-7-8-24(27(25)34-37)18-22-14-10-20(3)11-15-22/h10-18,25,29H,5-9,19H2,1-4H3/b24-18+
InChIKey	PSXNFYLNHSUHMF-HKOYGPOVSA-N
NMR Offset	17.5285
NMR Spectrometer Frequency	500.138
Observed nucleus	1H
Origin	1H_UBI_21270_14733
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/1020078; UBI_ID: UBI-014736
Synonyms	diethyl 1-{2-[7-(4-methylbenzylidene)-3-(4-methylphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Temperature	300 °C