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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
Mol Weight 466.36 g/mol
Molecular Formula C20H17F7N2O3
Exact Mass 466.11274 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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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