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Tricyclo[3.3.1.13,7]decane-1-acetonitrile, 2-phenyl-
SpectraBase Compound ID Ajw0VvVIQ5T
InChI InChI=1S/C18H21N/c19-7-6-18-11-13-8-14(12-18)10-16(9-13)17(18)15-4-2-1-3-5-15/h1-5,13-14,16-17H,6,8-12H2/t13-,14?,16?,17?,18+/m1/s1
InChIKey LRHDVAVYVMONRY-GWKPTYAKSA-N
Mol Weight 251.37 g/mol
Molecular Formula C18H21N
Exact Mass 251.1674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EOqtWRPdszI
Name Tricyclo[3.3.1.13,7]decane-1-acetonitrile, 2-phenyl-
Alternate Name(s) (2-phenyl-1-adamantyl)acetonitrile 1-(cyanomethyl)-2-phenyladamantane
CAS Registry Number 117077-13-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21N
InChI InChI=1S/C18H21N/c19-7-6-18-11-13-8-14(12-18)10-16(9-13)17(18)15-4-2-1-3-5-15/h1-5,13-14,16-17H,6,8-12H2/t13-,14?,16?,17?,18+/m1/s1
InChIKey LRHDVAVYVMONRY-GWKPTYAKSA-N
Molecular Weight 251.373 g/mol
SMILES [C@]12(C(C3C[C@](C2)(CC(C1)C3)[H])c1ccccc1)CC#N
SPLASH splash10-0gvo-9380000000-9ca18a862dbca40ef488
Source of Spectrum F-44-1901-0
Wiley ID 1254841