Benzoic acid, 4-[(E)-3-(4-iodophenyl)-3-oxo-1-propenyl]-, methyl ester

SpectraBase Compound ID	4l72FlrD7bg
InChI	InChI=1S/C17H13IO3/c1-21-17(20)14-5-2-12(3-6-14)4-11-16(19)13-7-9-15(18)10-8-13/h2-11H,1H3/b11-4+
InChIKey	ODSKJZQKKLRPNR-NYYWCZLTSA-N Google Search
Mol Weight	392.19 g/mol
Molecular Formula	C17H13IO3
Exact Mass	391.990939 g/mol

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SpectraBase Spectrum ID	AE29RuZtswY
Name	methyl 4-[(1E)-3-(4-iodophenyl)-3-oxo-1-propenyl]benzoate
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C17H13IO3/c1-21-17(20)14-5-2-12(3-6-14)4-11-16(19)13-7-9-15(18)10-8-13/h2-11H,1H3/b11-4+
InChIKey	ODSKJZQKKLRPNR-NYYWCZLTSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_33699
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: 1996386; SBI_ID: SBI-033703
Synonyms	methyl 4-[3-(4-iodophenyl)-3-oxo-1-propenyl]benzoate
Temperature	318 °C