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1-Octadecyl-3-(alpha,alpha,alpha-trifluoro-o-tolyl)urea

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1-Octadecyl-3-(alpha,alpha,alpha-trifluoro-o-tolyl)urea
SpectraBase Compound ID 4cOMKGTOQ8C
InChI InChI=1S/C26H43F3N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-30-25(32)31-24-21-18-17-20-23(24)26(27,28)29/h17-18,20-21H,2-16,19,22H2,1H3,(H2,30,31,32)
InChIKey CAAGZYVSIDGOHA-UHFFFAOYSA-N
Mol Weight 456.6 g/mol
Molecular Formula C26H43F3N2O
Exact Mass 456.332749 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IThXM1KEDVb
Name 1-Octadecyl-3-(alpha,alpha,alpha-trifluoro-o-tolyl)urea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.332748501 u
Formula C26H43F3N2O
InChI InChI=1S/C26H43F3N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-30-25(32)31-24-21-18-17-20-23(24)26(27,28)29/h17-18,20-21H,2-16,19,22H2,1H3,(H2,30,31,32)
InChIKey CAAGZYVSIDGOHA-UHFFFAOYSA-N
Molecular Weight 456.638 g/mol
SMILES C(F)(F)(F)C=1C(=CC=CC1)NC(NCCCCCCCCCCCCCCCCCC)=O