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Tricyclo[3.3.1.1~3,7~]decane-1-acetonitrile, alpha-phenyl-

View entire compound with spectra: 2 NMR

Tricyclo[3.3.1.1~3,7~]decane-1-acetonitrile, alpha-phenyl-
SpectraBase Compound ID Hwmx9rVh0Nr
InChI InChI=1S/C18H21N/c19-12-17(16-4-2-1-3-5-16)18-9-13-6-14(10-18)8-15(7-13)11-18/h1-5,13-15,17H,6-11H2/t13-,14+,15-,17?,18-
InChIKey KLLAXBCEWFRMSH-LOEUTXMCSA-N
Mol Weight 251.37 g/mol
Molecular Formula C18H21N
Exact Mass 251.1674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3oJnzlBVVx7
Name Tricyclo[3.3.1.1~3,7~]decane-1-acetonitrile, alpha-phenyl-
Comments Computed using HOSE algorithm
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Exact Mass 251.167399680 u
Formula C18H21N
InChI InChI=1S/C18H21N/c19-12-17(16-4-2-1-3-5-16)18-9-13-6-14(10-18)8-15(7-13)11-18/h1-5,13-15,17H,6-11H2/t13-,14+,15-,17?,18-
InChIKey KLLAXBCEWFRMSH-LOEUTXMCSA-N
Molecular Weight 251.373 g/mol
SMILES C12(C(C#N)C=3C=CC=CC3)C[C@]3(C[C@@](C1)(C[C@@](C2)(C3)[H])[H])[H]