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(1R,5R,6S,9R)-5,9-Dimethyl-2-oxabicyclo[4.4.0]decan-3-one
SpectraBase Compound ID 7hqLVXtZNAf
InChI InChI=1S/C11H18O2/c1-7-3-4-9-8(2)6-11(12)13-10(9)5-7/h7-10H,3-6H2,1-2H3/t7-,8+,9-,10-/m1/s1
InChIKey LQFVMWPLGXYRDG-UTINFBMNSA-N
Mol Weight 182.26 g/mol
Molecular Formula C11H18O2
Exact Mass 182.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DdNleo3a84u
Name (1R,5R,6S,9R)-5,9-Dimethyl-2-oxabicyclo[4.4.0]decan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O2
InChI InChI=1S/C11H18O2/c1-7-3-4-9-8(2)6-11(12)13-10(9)5-7/h7-10H,3-6H2,1-2H3/t7-,8+,9-,10-/m1/s1
InChIKey LQFVMWPLGXYRDG-UTINFBMNSA-N
Molecular Weight 182.263 g/mol
SMILES [C@]12(OC(=O)C[C@@]([C@]2(CC[C@](C1)(C)[H])[H])(C)[H])[H]
SPLASH splash10-000t-9200000000-af6c9948f0b0762c1e87
Source of Spectrum QC-10-935-2
Synonyms (1R,5S,6R,9R)-5,9-Dimethyl-2-oxabicyclo[4.4.0]decan-3-one (1R,5S,6S,9R)-5,9-Dimethyl-2-oxabicyclo[4.4.0]decan-3-one (4S,4aR,7R,8aR)-4,7-dimethyloctahydro-2H-chromen-2-one
Wiley ID 871167