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1-Heptylbicyclo[2.2.1]heptan-2-one
SpectraBase Compound ID JyQPlvuc5gj
InChI InChI=1S/C14H24O/c1-2-3-4-5-6-8-14-9-7-12(11-14)10-13(14)15/h12H,2-11H2,1H3/t12-,14-/m0/s1
InChIKey PDEMHKWDWYGACP-JSGCOSHPSA-N
Mol Weight 208.34 g/mol
Molecular Formula C14H24O
Exact Mass 208.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CXEq1JoTtMy
Name 1-Heptylbicyclo[2.2.1]heptan-2-one
Alternate Name(s) (1S,4S)-1-heptylbicyclo[2.2.1]heptan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H24O
InChI InChI=1S/C14H24O/c1-2-3-4-5-6-8-14-9-7-12(11-14)10-13(14)15/h12H,2-11H2,1H3/t12-,14-/m0/s1
InChIKey PDEMHKWDWYGACP-JSGCOSHPSA-N
Literature Reference DOI 10.1021/jo500942a
Molecular Weight 208.345 g/mol
SMILES [C@@]12(CC[C@](C2)(CCCCCCC)C(=O)C1)[H]
SPLASH splash10-05o0-9600000000-84f3e402ce3ef51b6148
Source of Spectrum J-79-6730-15e
Wiley ID 1746308