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Bicyclo[3.3.1]nonane, ethanone deriv.
SpectraBase Compound ID IFVL3q5Iw8m
InChI InChI=1S/C17H20O/c18-17-14-7-12-6-13(10-14)15(16(17)9-12)8-11-4-2-1-3-5-11/h1-5,12-16H,6-10H2/t12?,13-,14+,15-,16-/m1/s1
InChIKey RPEVFOMNNVIOCR-WFDRTZIDSA-N
Mol Weight 240.35 g/mol
Molecular Formula C17H20O
Exact Mass 240.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KZfgDOuNdIj
Name Bicyclo[3.3.1]nonane, ethanone deriv.
Alternate Name(s) Ethanone, 1-bicyclo[3.3.1]non-6-en-3-yl-2-phenyl-, (1R-endo)- (+)-(1S,3R)-4(R)(E)-Benzyladamantan-2-one (+)-(1S,5R)-endo-3(R)-Bicyclo[3.3.1]non-6-enyl benzyl ketone (1R,3R,4R)-4-benzyltricyclo[3.3.1.1(3,7)]decan-2-one
CAS Registry Number 109960-68-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O
InChI InChI=1S/C17H20O/c18-17-14-7-12-6-13(10-14)15(16(17)9-12)8-11-4-2-1-3-5-11/h1-5,12-16H,6-10H2/t12?,13-,14+,15-,16-/m1/s1
InChIKey RPEVFOMNNVIOCR-WFDRTZIDSA-N
Molecular Weight 240.346 g/mol
SMILES [C@@]12(C([C@@]3([H])CC(C2)C[C@@]([C@]1(Cc1ccccc1)[H])(C3)[H])=O)[H]
SPLASH splash10-00dj-1900000000-699567e4750cba448f7f
Source of Spectrum J-52-4175-4
Wiley ID 1243655