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2-Oxabicyclo[4.1.0]heptan-3-one, 5-methyl-, (1.alpha.,5.alpha.,6.alpha.)-(.+-.)-
SpectraBase Compound ID HTqPYvVHuyT
InChI InChI=1S/C7H10O2/c1-4-2-7(8)9-6-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+,6+/m0/s1
InChIKey BFPMAQJYHCIFOH-KVQBGUIXSA-N
Mol Weight 126.15 g/mol
Molecular Formula C7H10O2
Exact Mass 126.06808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DMEBKNQszIq
Name 2-Oxabicyclo[4.1.0]heptan-3-one, 5-methyl-, (1.alpha.,5.alpha.,6.alpha.)-(.+-.)-
CAS Registry Number 133797-06-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H10O2
InChI InChI=1S/C7H10O2/c1-4-2-7(8)9-6-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+,6+/m0/s1
InChIKey BFPMAQJYHCIFOH-KVQBGUIXSA-N
Molecular Weight 126.155 g/mol
SMILES [C@@]12([C@]([C@@](C)(CC(O2)=O)[H])([H])C1)[H]
SPLASH splash10-0a59-9000000000-9e522ceb4f466a336740
Source of Spectrum C-113-4604-35
Synonyms (1R,5S,6R)-5-methyl-2-oxabicyclo[4.1.0]heptan-3-one exo-5-methyl-2-oxabicyclo[4.1.0]heptan-3-one
Wiley ID 1129943