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1-{exo-Bicyclo[2.2.1]heptan-2-yl}-3-phenylpropan-1-one
SpectraBase Compound ID KcBkhKmGFPH
InChI InChI=1S/C16H20O/c17-16(9-7-12-4-2-1-3-5-12)15-11-13-6-8-14(15)10-13/h1-5,13-15H,6-11H2/t13-,14+,15+/m1/s1
InChIKey WDNMZSDYDDYCAB-ILXRZTDVSA-N
Mol Weight 228.33 g/mol
Molecular Formula C16H20O
Exact Mass 228.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ibc6cuh6s32
Name 1-{exo-Bicyclo[2.2.1]heptan-2-yl}-3-phenylpropan-1-one
Alternate Name(s) 1-((1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl)-3-phenylpropan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O
InChI InChI=1S/C16H20O/c17-16(9-7-12-4-2-1-3-5-12)15-11-13-6-8-14(15)10-13/h1-5,13-15H,6-11H2/t13-,14+,15+/m1/s1
InChIKey WDNMZSDYDDYCAB-ILXRZTDVSA-N
Literature Reference DOI 10.1021/ol400862k
Molecular Weight 228.335 g/mol
SMILES [C@]1(C[C@]2(C[C@@]1(CC2)[H])[H])(C(CCc1ccccc1)=O)[H]
SPLASH splash10-0002-9420000000-02f96ce9139b9cf42582
Source of Spectrum A1-15-2286/SMS14-5a
Wiley ID 1748656