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1,1-Diallyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)urea
SpectraBase Compound ID HRfyPG3GdOB
InChI InChI=1S/C14H15F3N2O/c1-3-8-19(9-4-2)13(20)18-12-7-5-6-11(10-12)14(15,16)17/h3-7,10H,1-2,8-9H2,(H,18,20)
InChIKey PXNZFOSKKIVWFW-UHFFFAOYSA-N
Mol Weight 284.28 g/mol
Molecular Formula C14H15F3N2O
Exact Mass 284.113648 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DenhOb2DOMc
Name 1,1-Diallyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)urea
Comments Computed using HOSE algorithm
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Exact Mass 284.113647599 u
Formula C14H15F3N2O
InChI InChI=1S/C14H15F3N2O/c1-3-8-19(9-4-2)13(20)18-12-7-5-6-11(10-12)14(15,16)17/h3-7,10H,1-2,8-9H2,(H,18,20)
InChIKey PXNZFOSKKIVWFW-UHFFFAOYSA-N
Molecular Weight 284.282 g/mol
SMILES N(C1=CC=CC(=C1)C(F)(F)F)C(N(CC=C)CC=C)=O