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N-(1,3-benzodioxol-5-ylmethyl)-N'-[1,1-bis(trifluoromethyl)propyl]urea
SpectraBase Compound ID LjiKjTbOQZX
InChI InChI=1S/C14H14F6N2O3/c1-2-12(13(15,16)17,14(18,19)20)22-11(23)21-6-8-3-4-9-10(5-8)25-7-24-9/h3-5H,2,6-7H2,1H3,(H2,21,22,23)
InChIKey LGKPSRDAHGKHFP-UHFFFAOYSA-N
Mol Weight 372.27 g/mol
Molecular Formula C14H14F6N2O3
Exact Mass 372.090861 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EtjGma99h2h
Name N-(1,3-benzodioxol-5-ylmethyl)-N'-[1,1-bis(trifluoromethyl)propyl]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/C14H14F6N2O3/c1-2-12(13(15,16)17,14(18,19)20)22-11(23)21-6-8-3-4-9-10(5-8)25-7-24-9/h3-5H,2,6-7H2,1H3,(H2,21,22,23)
InChIKey LGKPSRDAHGKHFP-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_5267
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: 62033; UBI_ID: UBI-005269
Temperature 308 °C