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1-(4-Cyclohexyl-4,4-diphenyl-2-butynyl)piperidine

View entire compound with spectra: 2 NMR

1-(4-Cyclohexyl-4,4-diphenyl-2-butynyl)piperidine
SpectraBase Compound ID 7cCgfZYQ253
InChI InChI=1S/C27H33N/c1-5-14-24(15-6-1)27(25-16-7-2-8-17-25,26-18-9-3-10-19-26)20-13-23-28-21-11-4-12-22-28/h1-2,5-8,14-17,26H,3-4,9-12,18-19,21-23H2
InChIKey IXFKFHMFLJTBRB-UHFFFAOYSA-N
Mol Weight 371.6 g/mol
Molecular Formula C27H33N
Exact Mass 371.2613 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Rqjgg1t3aH
Name 1-(4-Cyclohexyl-4,4-diphenyl-2-butynyl)piperidine
Comments Computed using HOSE algorithm
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Exact Mass 371.261300067 u
Formula C27H33N
InChI InChI=1S/C27H33N/c1-5-14-24(15-6-1)27(25-16-7-2-8-17-25,26-18-9-3-10-19-26)20-13-23-28-21-11-4-12-22-28/h1-2,5-8,14-17,26H,3-4,9-12,18-19,21-23H2
InChIKey IXFKFHMFLJTBRB-UHFFFAOYSA-N
Molecular Weight 371.568 g/mol
SMILES C(C#CCN1CCCCC1)(C1=CC=CC=C1)(C1=CC=CC=C1)C1CCCCC1