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Bicyclo[3.1.1]heptan-2-one
SpectraBase Compound ID 5cs4DDZwFxM
InChI InChI=1S/C7H10O/c8-7-2-1-5-3-6(7)4-5/h5-6H,1-4H2/t5-,6+
InChIKey PMAXNHPFNDQMAO-OLQVQODUSA-N
Mol Weight 110.16 g/mol
Molecular Formula C7H10O
Exact Mass 110.073165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID rxsKKtUQso
Name Bicyclo[3.1.1]heptan-2-one
CAS Registry Number 17159-87-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H10O
InChI InChI=1S/C7H10O/c8-7-2-1-5-3-6(7)4-5/h5-6H,1-4H2/t5-,6+
InChIKey PMAXNHPFNDQMAO-OLQVQODUSA-N
Molecular Weight 110.156 g/mol
SMILES C1C[C@]2(C[C@@](C1=O)(C2)[H])[H]
SPLASH splash10-0ldl-9000000000-1a352a1ae477b8dc7c0d
Synonyms 4-bicyclo[3.1.1]heptanone bicyclo[3.1.1]heptan-4-one norpinan-2-one
Wiley ID 1478106