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Trans-cinnamamide, 3-trifluoromethyl-N-(hept-2-yl)-
SpectraBase Compound ID BQbQK1iciKR
InChI InChI=1S/C17H22F3NO/c1-3-4-5-7-13(2)21-16(22)11-10-14-8-6-9-15(12-14)17(18,19)20/h6,8-13H,3-5,7H2,1-2H3,(H,21,22)/b11-10+
InChIKey OIXZVPHWYSWXEY-ZHACJKMWSA-N
Mol Weight 313.36 g/mol
Molecular Formula C17H22F3NO
Exact Mass 313.165349 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 96ff9kd3IXo
Name Trans-cinnamamide, 3-trifluoromethyl-N-(hept-2-yl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 313.165348820 u
Formula C17H22F3NO
InChI InChI=1S/C17H22F3NO/c1-3-4-5-7-13(2)21-16(22)11-10-14-8-6-9-15(12-14)17(18,19)20/h6,8-13H,3-5,7H2,1-2H3,(H,21,22)/b11-10+
InChIKey OIXZVPHWYSWXEY-ZHACJKMWSA-N
Molecular Weight 313.364 g/mol
SMILES C1=C(C=C(C=C1)\C=C\C(NC(CCCCC)C)=O)C(F)(F)F