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1-Hexylbicyclo[2.2.1]heptan-2-one
SpectraBase Compound ID LgxsWpfEpWt
InChI InChI=1S/C13H22O/c1-2-3-4-5-7-13-8-6-11(10-13)9-12(13)14/h11H,2-10H2,1H3/t11-,13-/m0/s1
InChIKey RFYXYVRWIXZPDX-AAEUAGOBSA-N
Mol Weight 194.32 g/mol
Molecular Formula C13H22O
Exact Mass 194.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ACKBdgeORtg
Name 1-Hexylbicyclo[2.2.1]heptan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O
InChI InChI=1S/C13H22O/c1-2-3-4-5-7-13-8-6-11(10-13)9-12(13)14/h11H,2-10H2,1H3/t11-,13-/m0/s1
InChIKey RFYXYVRWIXZPDX-AAEUAGOBSA-N
Literature Reference DOI 10.1021/jo500942a
Molecular Weight 194.318 g/mol
SMILES [C@]12(C[C@](CCCCCC)(CC2)C(=O)C1)[H]
SPLASH splash10-053u-9500000000-48f0f04271d97a07f3ad
Source of Spectrum J-79-6729-15a
Synonyms (1S,4S)-1-hexylbicyclo[2.2.1]heptan-2-one
Wiley ID 1746305