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(-)-(1S,5R)-2(S),6,6-Trimethylbicyclo[3.3.1]heptan-3-one (.beta.-Pinanone)
SpectraBase Compound ID Ie4qz0kaSWB
InChI InChI=1S/C10H16O/c1-6-8-4-7(9(6)11)5-10(8,2)3/h6-8H,4-5H2,1-3H3/t6-,7-,8-/m0/s1
InChIKey ZYDUOFAYEXDGIS-FXQIFTODSA-N
Mol Weight 152.24 g/mol
Molecular Formula C10H16O
Exact Mass 152.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IkTEz3Pm8Yg
Name (-)-(1S,5R)-2(S),6,6-Trimethylbicyclo[3.3.1]heptan-3-one (.beta.-Pinanone)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O
InChI InChI=1S/C10H16O/c1-6-8-4-7(9(6)11)5-10(8,2)3/h6-8H,4-5H2,1-3H3/t6-,7-,8-/m0/s1
InChIKey ZYDUOFAYEXDGIS-FXQIFTODSA-N
Molecular Weight 152.237 g/mol
SMILES [C@]12(C(C[C@](C2)(C([C@]1(C)[H])=O)[H])(C)C)[H]
SPLASH splash10-001j-9200000000-e7a353cda09e1dc1ab91
Source of Spectrum C-109-6257-6
Synonyms (3S,4S)-3,5,5-trimethylbicyclo[2.2.1]heptan-2-one
Wiley ID 1149839