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Tricyclo[3.3.1.13,7]decanone, 4-(phenylmethyl)-, [1S-(1.alpha.,3.beta.,4.alpha.,5.alpha.,7.beta.)]-
SpectraBase Compound ID FzLPvQWRMSl
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-/m0/s1
InChIKey RPEVFOMNNVIOCR-QRJUGERDSA-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 3ftaMNsD321
Name Tricyclo[3.3.1.13,7]decanone, 4-(phenylmethyl)-, [1S-(1.alpha.,3.beta.,4.alpha.,5.alpha.,7.beta.)]-
Alternate Name(s) (-)-(1S,3R)-4(S)(a)-Benzyladamantan-2-one (1S,3S,4S,5S,7S)-4-benzyltricyclo[3.3.1.1(3,7)]decan-2-one
CAS Registry Number 109960-70-5
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-/m0/s1
InChIKey RPEVFOMNNVIOCR-QRJUGERDSA-N
Molecular Weight 240.346 g/mol
SMILES [C@]12(C([C@@]3([H])C[C@@](C2)(C[C@@]([C@@]1(Cc1ccccc1)[H])(C3)[H])[H])=O)[H]
SPLASH splash10-00di-1940000000-b31295f609d3254807ce
Source of Spectrum J-52-4175-3
Wiley ID 1243656