5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-(trifluoromethyl)-2(1H)-pyrimidinone

SpectraBase Compound ID	DMi1ZZkllVy
InChI	InChI=1S/C14H9F3N2O3/c15-14(16,17)12-9(6-18-13(20)19-12)3-1-8-2-4-10-11(5-8)22-7-21-10/h1-6H,7H2,(H,18,19,20)/b3-1+
InChIKey	ZGCGRCHVACBBCY-HNQUOIGGSA-N Google Search
Mol Weight	310.23 g/mol
Molecular Formula	C14H9F3N2O3
Exact Mass	310.056527 g/mol

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SpectraBase Spectrum ID	HK4T8HXLve0
Name	5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-(trifluoromethyl)-2(1H)-pyrimidinone
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/C14H9F3N2O3/c15-14(16,17)12-9(6-18-13(20)19-12)3-1-8-2-4-10-11(5-8)22-7-21-10/h1-6H,7H2,(H,18,19,20)/b3-1+
InChIKey	ZGCGRCHVACBBCY-HNQUOIGGSA-N
NMR Offset	15.0036
NMR Spectrometer Frequency	250.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_3137
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: ZI/7051432; Labnumber: SAD-D000931; IOH_ID: IOH-003138
Synonyms	5-[2-(1,3-benzodioxol-5-yl)ethenyl]-4-(trifluoromethyl)-2(1H)-pyrimidinone
Temperature	297 °C