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1,3-Dimethyl-3-acetoxymethyl-2-oxabicyclo[2.2.2]octan-5-one
SpectraBase Compound ID FwESK8LRl6U
InChI InChI=1S/C12H18O4/c1-8(13)15-7-12(3)9-4-5-11(2,16-12)6-10(9)14/h9H,4-7H2,1-3H3
InChIKey CNAQVRBIEJXDHX-UHFFFAOYSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DOdX3P3Axhk
Name 1,3-Dimethyl-3-acetoxymethyl-2-oxabicyclo[2.2.2]octan-5-one
CAS Registry Number 107173-93-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-8(13)15-7-12(3)9-4-5-11(2,16-12)6-10(9)14/h9H,4-7H2,1-3H3
InChIKey CNAQVRBIEJXDHX-UHFFFAOYSA-N
Molecular Weight 226.272 g/mol
SMILES C1(C2C(=O)CC(O1)(CC2)C)(COC(=O)C)C
SPLASH splash10-0gvo-9800000000-58e0e717766261c2e62b
Source of Spectrum J-52-1511-40
Synonyms (1,3-dimethyl-5-oxo-2-oxabicyclo[2.2.2]oct-3-yl)methyl acetate
Wiley ID 1227307