(7E)-2-[(4-chloro-3,5-dimethylphenoxy)acetyl]-3-(2-thienyl)-7-(2-thienylmethylene)-3,3a,4,5,6,7-hexahydro-2H-indazole

SpectraBase Compound ID	6rHpeaAGLLd
InChI	InChI=1S/C26H25ClN2O2S2/c1-16-12-19(13-17(2)24(16)27)31-15-23(30)29-26(22-9-5-11-33-22)21-8-3-6-18(25(21)28-29)14-20-7-4-10-32-20/h4-5,7,9-14,21,26H,3,6,8,15H2,1-2H3/b18-14+
InChIKey	VYWINYAFIZZWBR-NBVRZTHBSA-N Google Search
Mol Weight	497.07 g/mol
Molecular Formula	C26H25ClN2O2S2
Exact Mass	496.104598 g/mol

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SpectraBase Spectrum ID	4zbBPuaupSs
Name	(7E)-2-[(4-chloro-3,5-dimethylphenoxy)acetyl]-3-(2-thienyl)-7-(2-thienylmethylene)-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/C26H25ClN2O2S2/c1-16-12-19(13-17(2)24(16)27)31-15-23(30)29-26(22-9-5-11-33-22)21-8-3-6-18(25(21)28-29)14-20-7-4-10-32-20/h4-5,7,9-14,21,26H,3,6,8,15H2,1-2H3/b18-14+
InChIKey	VYWINYAFIZZWBR-NBVRZTHBSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_14562
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/1019693; UBI_ID: UBI-014565
Synonyms	4-chloro-3,5-dimethylphenyl 2-oxo-2-[(7E)-3-(2-thienyl)-7-(2-thienylmethylene)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethyl ether2-[(4-chloro-3,5-dimethylphenoxy)acetyl]-3-(2-thienyl)-7-(2-thienylmethylene)-3,3a,4,5,6,7-hexahydro-2H-indazole
Temperature	318 °C