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Trans-2-phenylcyclopropylamine, heptafluorobutyryl

View entire compound with spectra: 1 NMR, and 1 FTIR

Trans-2-phenylcyclopropylamine, heptafluorobutyryl
SpectraBase Compound ID DIWJ4QWwncE
InChI InChI=1S/C13H10F7NO/c14-11(15,12(16,17)13(18,19)20)10(22)21-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,21,22)/t8-,9+/m1/s1
InChIKey SGOGAADMNOIARZ-BDAKNGLRSA-N
Mol Weight 329.22 g/mol
Molecular Formula C13H10F7NO
Exact Mass 329.065061 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2hFnoXovcmq
Name Trans-2-phenylcyclopropylamine, heptafluorobutyryl
Comments Computed using HOSE algorithm
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Exact Mass 329.065061086 u
Formula C13H10F7NO
InChI InChI=1S/C13H10F7NO/c14-11(15,12(16,17)13(18,19)20)10(22)21-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,21,22)/t8-,9+/m1/s1
InChIKey SGOGAADMNOIARZ-BDAKNGLRSA-N
Molecular Weight 329.218 g/mol
SMILES C1=CC=C(C=C1)[C@]1(C[C@@]1(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)[H])[H]