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

SpectraBase Compound ID	JiagTG0y9lg
InChI	InChI=1S/C29H25F3N4O5/c1-16-9-25(29(30,31)32)33-35(16)13-26(37)36-28(19-6-8-22-24(12-19)41-15-39-22)20-4-2-3-18(27(20)34-36)10-17-5-7-21-23(11-17)40-14-38-21/h5-12,20,28H,2-4,13-15H2,1H3/b18-10+
InChIKey	QMSSUFBZWCNGKJ-VCHYOVAHSA-N Google Search
Mol Weight	566.54 g/mol
Molecular Formula	C29H25F3N4O5
Exact Mass	566.177704 g/mol

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SpectraBase Spectrum ID	7aGGQSjNEGW
Name	(7E)-3-(1,3-benzodioxol-5-yl)-7-(1,3-benzodioxol-5-ylmethylene)-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/C29H25F3N4O5/c1-16-9-25(29(30,31)32)33-35(16)13-26(37)36-28(19-6-8-22-24(12-19)41-15-39-22)20-4-2-3-18(27(20)34-36)10-17-5-7-21-23(11-17)40-14-38-21/h5-12,20,28H,2-4,13-15H2,1H3/b18-10+
InChIKey	QMSSUFBZWCNGKJ-VCHYOVAHSA-N
NMR Offset	17.1563
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_9041
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/1023774; Labnumber: Gbb0227; UZI_ID: UZI-009043
Synonyms	3-(1,3-benzodioxol-5-yl)-7-(1,3-benzodioxol-5-ylmethylene)-2-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-3,3a,4,5,6,7-hexahydro-2H-indazole
Temperature	308 °C