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(1R,3S)-7,7-Dimethyl-2-oxabicyclo[4.1.1.]octan-3-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(1R,3S)-7,7-Dimethyl-2-oxabicyclo[4.1.1.]octan-3-one
SpectraBase Compound ID DT0D6ipDBdU
InChI InChI=1S/C9H14O2/c1-9(2)6-3-4-8(10)11-7(9)5-6/h6-7H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKey LRDZFEMYVRONSU-NKWVEPMBSA-N
Mol Weight 154.21 g/mol
Molecular Formula C9H14O2
Exact Mass 154.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 15O79FN8Uir
Name (1R,3S)-7,7-Dimethyl-2-oxabicyclo[4.1.1.]octan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O2
InChI InChI=1S/C9H14O2/c1-9(2)6-3-4-8(10)11-7(9)5-6/h6-7H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKey LRDZFEMYVRONSU-NKWVEPMBSA-N
Molecular Weight 154.209 g/mol
SMILES [C@]12(C(C)(C)[C@](C2)(CCC(O1)=O)[H])[H]
SPLASH splash10-067i-9000000000-02f1d24097c88cc661b4
Source of Spectrum F-48-1935-7
Synonyms (1R)-7,7-dimethyl-2-oxabicyclo[4.1.1]octan-3-one (1R,6S)-7,7-Dimethyl-2-oxabicyclo[4.1.1.]octan-3-one
Wiley ID 1151442