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2-tert-Butyl-4-phenyladamantane
SpectraBase Compound ID A3mOQLWBUea
InChI InChI=1S/C20H28/c1-20(2,3)19-16-10-13-9-15(12-16)18(17(19)11-13)14-7-5-4-6-8-14/h4-8,13,15-19H,9-12H2,1-3H3/t13-,15+,16-,17+,18-,19+/m0/s1
InChIKey FQEINYRALPKDQW-VIGLNSERSA-N
Mol Weight 268.44 g/mol
Molecular Formula C20H28
Exact Mass 268.219101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KEWWbWeVwmc
Name 2-tert-Butyl-4-phenyladamantane
CAS Registry Number 132156-52-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28
InChI InChI=1S/C20H28/c1-20(2,3)19-16-10-13-9-15(12-16)18(17(19)11-13)14-7-5-4-6-8-14/h4-8,13,15-19H,9-12H2,1-3H3/t13-,15+,16-,17+,18-,19+/m0/s1
InChIKey FQEINYRALPKDQW-VIGLNSERSA-N
Molecular Weight 268.444 g/mol
SMILES [C@@]12([C@@]([C@]3(C[C@@](C2)(C[C@@]([C@@]1(c1ccccc1)[H])(C3)[H])[H])[H])(C(C)(C)C)[H])[H]
SPLASH splash10-03dl-6190000000-37dfedbc34b88ec52750
Source of Spectrum J-56-1712-23
Synonyms 2(a)-t-butyl-4(e)-phenyladamantane
Wiley ID 1272880