benzoic acid, 3-[[(2E)-3-[4-(benzoyloxy)-3-iodo-5-methoxyphenyl]-2-cyano-1-oxo-2-propenyl]amino]-

SpectraBase Compound ID	EN4sXOqFZEq
InChI	InChI=1S/C25H17IN2O6/c1-33-21-12-15(11-20(26)22(21)34-25(32)16-6-3-2-4-7-16)10-18(14-27)23(29)28-19-9-5-8-17(13-19)24(30)31/h2-13H,1H3,(H,28,29)(H,30,31)/b18-10+
InChIKey	LEJRRGWATZQIHC-VCHYOVAHSA-N Google Search
Mol Weight	568.32 g/mol
Molecular Formula	C25H17IN2O6
Exact Mass	568.013131 g/mol

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SpectraBase Spectrum ID	AVivKdHvOkD
Name	benzoic acid, 3-[[(2E)-3-[4-(benzoyloxy)-3-iodo-5-methoxyphenyl]-2-cyano-1-oxo-2-propenyl]amino]-
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/C25H17IN2O6/c1-33-21-12-15(11-20(26)22(21)34-25(32)16-6-3-2-4-7-16)10-18(14-27)23(29)28-19-9-5-8-17(13-19)24(30)31/h2-13H,1H3,(H,28,29)(H,30,31)/b18-10+
InChIKey	LEJRRGWATZQIHC-VCHYOVAHSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB3_9000_240
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: NMR/11251034; Labnumber: VPR-0104035