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(1S,4R,5R)-4-methyl-3-bicyclo[3.2.1]octanone
SpectraBase Compound ID 32rJ7EHa6O
InChI InChI=1S/C9H14O/c1-6-8-3-2-7(4-8)5-9(6)10/h6-8H,2-5H2,1H3/t6-,7+,8-/m1/s1
InChIKey CYABYVIBJSQEKW-GJMOJQLCSA-N
Mol Weight 138.21 g/mol
Molecular Formula C9H14O
Exact Mass 138.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CHd7Ta5T4tM
Name (1S,4R,5R)-4-methyl-3-bicyclo[3.2.1]octanone
CAS Registry Number 110415-89-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O
InChI InChI=1S/C9H14O/c1-6-8-3-2-7(4-8)5-9(6)10/h6-8H,2-5H2,1H3/t6-,7+,8-/m1/s1
InChIKey CYABYVIBJSQEKW-GJMOJQLCSA-N
Molecular Weight 138.210 g/mol
SMILES C1([C@@]([C@@]2(CC[C@@](C2)(C1)[H])[H])(C)[H])=O
SPLASH splash10-001i-9300000000-b9ba260bff40e4b7ee27
Source of Spectrum C-109-6257-7
Synonyms (1S,4R,5R)-4-methylbicyclo[3.2.1]octan-3-one
Wiley ID 1138161