(5E)-1-cycloheptyl-5-[(3-fluoroanilino)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione

SpectraBase Compound ID	6ZwCaPVdVRN
InChI	InChI=1S/C18H20FN3O3/c19-12-6-5-7-13(10-12)20-11-15-16(23)21-18(25)22(17(15)24)14-8-3-1-2-4-9-14/h5-7,10-11,14,20H,1-4,8-9H2,(H,21,23,25)/b15-11+
InChIKey	LBPIMQOFKBDPBH-RVDMUPIBSA-N Google Search
Mol Weight	345.37 g/mol
Molecular Formula	C18H20FN3O3
Exact Mass	345.14887 g/mol

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SpectraBase Spectrum ID	1YDu1kw22ns
Name	(5E)-1-cycloheptyl-5-[(3-fluoroanilino)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
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/C18H20FN3O3/c19-12-6-5-7-13(10-12)20-11-15-16(23)21-18(25)22(17(15)24)14-8-3-1-2-4-9-14/h5-7,10-11,14,20H,1-4,8-9H2,(H,21,23,25)/b15-11+
InChIKey	LBPIMQOFKBDPBH-RVDMUPIBSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_10702
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: E02889; Labnumber: KKA-0211-3664; SBI_ID: SBI-010705
Synonyms	1-cycloheptyl-5-[(3-fluoroanilino)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature	318 °C