(7E)-7-(4-bromobenzylidene)-3-(4-bromophenyl)-2-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-3,3a,4,5,6,7-hexahydro-2H-indazole

SpectraBase Compound ID	HnlXL45mnIY
InChI	InChI=1S/C27H23Br2F3N4O/c1-16-13-23(27(30,31)32)33-35(16)15-24(37)36-26(18-7-11-21(29)12-8-18)22-4-2-3-19(25(22)34-36)14-17-5-9-20(28)10-6-17/h5-14,22,26H,2-4,15H2,1H3/b19-14+
InChIKey	UGBGNHPXQWDEON-XMHGGMMESA-N Google Search
Mol Weight	636.31 g/mol
Molecular Formula	C27H23Br2F3N4O
Exact Mass	634.019072 g/mol

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SpectraBase Spectrum ID	32jPZUtoma8
Name	(7E)-7-(4-bromobenzylidene)-3-(4-bromophenyl)-2-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-3,3a,4,5,6,7-hexahydro-2H-indazole
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/C27H23Br2F3N4O/c1-16-13-23(27(30,31)32)33-35(16)15-24(37)36-26(18-7-11-21(29)12-8-18)22-4-2-3-19(25(22)34-36)14-17-5-9-20(28)10-6-17/h5-14,22,26H,2-4,15H2,1H3/b19-14+
InChIKey	UGBGNHPXQWDEON-XMHGGMMESA-N
NMR Offset	17.1563
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_9033
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/1024513; Labnumber: Gbb0213; UZI_ID: UZI-009035
Synonyms	7-(4-bromobenzylidene)-3-(4-bromophenyl)-2-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-3,3a,4,5,6,7-hexahydro-2H-indazole
Temperature	308 °C