N-(1,3-benzodioxol-5-ylmethyl)-N'-[1,1-bis(trifluoromethyl)propyl]-N-(4-fluorophenyl)urea

SpectraBase Compound ID	Lxy0yXzVRfD
InChI	InChI=1S/C20H17F7N2O3/c1-2-18(19(22,23)24,20(25,26)27)28-17(30)29(14-6-4-13(21)5-7-14)10-12-3-8-15-16(9-12)32-11-31-15/h3-9H,2,10-11H2,1H3,(H,28,30)
InChIKey	ORDTUGHDPYVOJH-UHFFFAOYSA-N Google Search
Mol Weight	466.36 g/mol
Molecular Formula	C20H17F7N2O3
Exact Mass	466.11274 g/mol

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SpectraBase Spectrum ID	HTpbDyNO0UJ
Name	N-(1,3-benzodioxol-5-ylmethyl)-N'-[1,1-bis(trifluoromethyl)propyl]-N-(4-fluorophenyl)urea
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/C20H17F7N2O3/c1-2-18(19(22,23)24,20(25,26)27)28-17(30)29(14-6-4-13(21)5-7-14)10-12-3-8-15-16(9-12)32-11-31-15/h3-9H,2,10-11H2,1H3,(H,28,30)
InChIKey	ORDTUGHDPYVOJH-UHFFFAOYSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_23436
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: D40405; Labnumber: SOKOL-0303-1; SBI_ID: SBI-023440
Temperature	308 °C