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bis-(1-(3,4-Methylenedioxyphenyl)-propan-2-yl)amine, N-(trifluoroacetyl)

View entire compound with spectra: 1 NMR

bis-(1-(3,4-Methylenedioxyphenyl)-propan-2-yl)amine, N-(trifluoroacetyl)
SpectraBase Compound ID GNDWgXUKLxf
InChI InChI=1S/C22H22F3NO5/c1-13(7-15-3-5-17-19(9-15)30-11-28-17)26(21(27)22(23,24)25)14(2)8-16-4-6-18-20(10-16)31-12-29-18/h3-6,9-10,13-14H,7-8,11-12H2,1-2H3
InChIKey FTNOYEXACGOMGZ-UHFFFAOYSA-N
Mol Weight 437.42 g/mol
Molecular Formula C22H22F3NO5
Exact Mass 437.145007 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Gpp91J08pO
Name bis-(1-(3,4-Methylenedioxyphenyl)-propan-2-yl)amine, N-(trifluoroacetyl)
Comments Computed using HOSE algorithm
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Exact Mass 437.145007296 u
Formula C22H22F3NO5
InChI InChI=1S/C22H22F3NO5/c1-13(7-15-3-5-17-19(9-15)30-11-28-17)26(21(27)22(23,24)25)14(2)8-16-4-6-18-20(10-16)31-12-29-18/h3-6,9-10,13-14H,7-8,11-12H2,1-2H3
InChIKey FTNOYEXACGOMGZ-UHFFFAOYSA-N
Molecular Weight 437.415 g/mol
SMILES C1(=CC=C2C(=C1)OCO2)CC(N(C(CC1=CC2=C(C=C1)OCO2)C)C(C(F)(F)F)=O)C