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N-tert-Butylcarboxylate 3-(4-(trifluoromethyl)phenyl) piperidine
SpectraBase Compound ID GvFgS84b1mb
InChI InChI=1S/C17H22F3NO2/c1-16(2,3)23-15(22)21-10-4-5-13(11-21)12-6-8-14(9-7-12)17(18,19)20/h6-9,13H,4-5,10-11H2,1-3H3
InChIKey IDHXDPHVCKHQBR-UHFFFAOYSA-N
Mol Weight 329.36 g/mol
Molecular Formula C17H22F3NO2
Exact Mass 329.160263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2r6ekGCS1um
Name N-tert-Butylcarboxylate 3-(4-(trifluoromethyl)phenyl) piperidine
Appearance White solid
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Exact Mass 329.160263439 u
Formula C17H22F3NO2
InChI InChI=1S/C17H22F3NO2/c1-16(2,3)23-15(22)21-10-4-5-13(11-21)12-6-8-14(9-7-12)17(18,19)20/h6-9,13H,4-5,10-11H2,1-3H3
InChIKey IDHXDPHVCKHQBR-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2010S
Ionization Type EI
Literature Reference DOI 10.1002/chem.201501543
Molecular Weight 329.363 g/mol
Quality 207
Reported Formula C17H22F3NO2
SMILES C1CC(CN(C1)C(=O)OC(C)(C)C)C1=CC=C(C=C1)C(F)(F)F
SPLASH splash10-0a4i-9100000000-f494529d2dc57074f6c5
Source of Spectrum QE-21-SM25-9f (DOI: 10.1002/chem.201501543)
Wiley ID 1909218