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tert-butyl 4-cyano-4-[(1R,2R)-2-phenylcyclopropyl]piperidine-1-carboxylate
SpectraBase Compound ID LYFtfaODSeY
InChI InChI=1S/C20H26N2O2/c1-19(2,3)24-18(23)22-11-9-20(14-21,10-12-22)17-13-16(17)15-7-5-4-6-8-15/h4-8,16-17H,9-13H2,1-3H3/t16-,17+/m0/s1
InChIKey XDJUHVKBJOWSGW-DLBZAZTESA-N
Mol Weight 326.44 g/mol
Molecular Formula C20H26N2O2
Exact Mass 326.199428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BhlwtJnvqsp
Name tert-butyl 4-cyano-4-[(1R,2R)-2-phenylcyclopropyl]piperidine-1-carboxylate
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Exact Mass 326.199428083 u
Formula C20H26N2O2
InChI InChI=1S/C20H26N2O2/c1-19(2,3)24-18(23)22-11-9-20(14-21,10-12-22)17-13-16(17)15-7-5-4-6-8-15/h4-8,16-17H,9-13H2,1-3H3/t16-,17+/m0/s1
InChIKey XDJUHVKBJOWSGW-DLBZAZTESA-N
Ionization Type EI
Molecular Weight 326.440 g/mol
Optical Rotation [a]D30 = -49.9 (c = 1.0, CHCl3)
Quality 169
Reported Formula C20H26N2O2
SMILES C1([C@@]2(C[C@]2(C2=CC=CC=C2)[H])[H])(C#N)CCN(CC1)C(OC(C)(C)C)=O
SPLASH splash10-05r0-5590000000-a6e3aece329231505f3e
Source of Spectrum CN111362832B
Wiley ID 1894809