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Glutaric acid, monoamide, N-(3,5-di(trifluoromethyl)benzyl)-, propyl ester

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Glutaric acid, monoamide, N-(3,5-di(trifluoromethyl)benzyl)-, propyl ester
SpectraBase Compound ID BfMWOwBud14
InChI InChI=1S/C17H19F6NO3/c1-2-6-27-15(26)5-3-4-14(25)24-10-11-7-12(16(18,19)20)9-13(8-11)17(21,22)23/h7-9H,2-6,10H2,1H3,(H,24,25)
InChIKey CTHYLPKCJVEDIB-UHFFFAOYSA-N
Mol Weight 399.33 g/mol
Molecular Formula C17H19F6NO3
Exact Mass 399.126912 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9L4E79CZriQ
Name Glutaric acid, monoamide, N-(3,5-di(trifluoromethyl)benzyl)-, propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 399.126912451 u
Formula C17H19F6NO3
InChI InChI=1S/C17H19F6NO3/c1-2-6-27-15(26)5-3-4-14(25)24-10-11-7-12(16(18,19)20)9-13(8-11)17(21,22)23/h7-9H,2-6,10H2,1H3,(H,24,25)
InChIKey CTHYLPKCJVEDIB-UHFFFAOYSA-N
Molecular Weight 399.333 g/mol
SMILES CCCOC(CCCC(NCC1=CC(C(F)(F)F)=CC(=C1)C(F)(F)F)=O)=O