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(1S,2R,5S)-2,6,6-trimethyl-4-bicyclo[3.1.1]heptanone
SpectraBase Compound ID KI2uJsb9vBr
InChI InChI=1S/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h6-8H,4-5H2,1-3H3/t6-,7+,8-/m1/s1
InChIKey QKGNSWNKNMFYRE-GJMOJQLCSA-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 AGjMO5qrlME
Name (1S,2R,5S)-2,6,6-trimethyl-4-bicyclo[3.1.1]heptanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O
InChI InChI=1S/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h6-8H,4-5H2,1-3H3/t6-,7+,8-/m1/s1
InChIKey QKGNSWNKNMFYRE-GJMOJQLCSA-N
Molecular Weight 152.237 g/mol
SMILES C1([C@]2(C(=O)C[C@]([C@@]1(C2)[H])(C)[H])[H])(C)C
SPLASH splash10-001j-9100000000-3313a0cf3c0f74df16c9
Source of Spectrum KC-0-357-3
Synonyms (1S,2R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-4-one (1S,4R,5S)-4,6,6-trimethylnorpinan-2-one
Wiley ID 785072