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

SpectraBase Compound ID	H1KJsM1M4vv
InChI	InChI=1S/C30H31N5O5/c1-3-39-29(37)26-28(30(38)40-4-2)34(33-31-26)19-24(36)35-27(21-14-9-6-10-15-21)23-17-11-16-22(25(23)32-35)18-20-12-7-5-8-13-20/h5-10,12-15,18,23,27H,3-4,11,16-17,19H2,1-2H3/b22-18+
InChIKey	RWMRFCIGNRUENW-RELWKKBWSA-N Google Search
Mol Weight	541.61 g/mol
Molecular Formula	C30H31N5O5
Exact Mass	541.232519 g/mol

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SpectraBase Spectrum ID	B9bhvvIjXCJ
Name	diethyl 1-{2-[(7E)-7-benzylidene-3-phenyl-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/C30H31N5O5/c1-3-39-29(37)26-28(30(38)40-4-2)34(33-31-26)19-24(36)35-27(21-14-9-6-10-15-21)23-17-11-16-22(25(23)32-35)18-20-12-7-5-8-13-20/h5-10,12-15,18,23,27H,3-4,11,16-17,19H2,1-2H3/b22-18+
InChIKey	RWMRFCIGNRUENW-RELWKKBWSA-N
NMR Offset	17.5285
NMR Spectrometer Frequency	500.138
Observed nucleus	1H
Origin	1H_UBI_21270_14753
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/1020116; UBI_ID: UBI-014756
Synonyms	diethyl 1-{2-[7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Temperature	300 °C