(2E,6E)-4-methyl-2,6-bis{[5-(3-nitrophenyl)-2-furyl]methylene}cyclohexanone

SpectraBase Compound ID	FIldjKHYo43
InChI	InChI=1S/C29H22N2O7/c1-18-12-21(16-25-8-10-27(37-25)19-4-2-6-23(14-19)30(33)34)29(32)22(13-18)17-26-9-11-28(38-26)20-5-3-7-24(15-20)31(35)36/h2-11,14-18H,12-13H2,1H3/b21-16+,22-17+
InChIKey	HJJYJYVBWSWCAA-LPFJTETCSA-N Google Search
Mol Weight	510.5 g/mol
Molecular Formula	C29H22N2O7
Exact Mass	510.142701 g/mol

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SpectraBase Spectrum ID	IxGh5Ql5Cjy
Name	(2E,6E)-4-methyl-2,6-bis{[5-(3-nitrophenyl)-2-furyl]methylene}cyclohexanone
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/C29H22N2O7/c1-18-12-21(16-25-8-10-27(37-25)19-4-2-6-23(14-19)30(33)34)29(32)22(13-18)17-26-9-11-28(38-26)20-5-3-7-24(15-20)31(35)36/h2-11,14-18H,12-13H2,1H3/b21-16+,22-17+
InChIKey	HJJYJYVBWSWCAA-LPFJTETCSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_14717
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: C26018; Labnumber: MAT3-0050; SBI_ID: SBI-014720
Synonyms	4-methyl-2,6-bis{[5-(3-nitrophenyl)-2-furyl]methylene}cyclohexanone
Temperature	318 °C