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3-Oxabicyclo[3.2.0]heptan-2-one, 4-ethoxy-6,6,7,7-tetramethyl-, (1.alpha.,4.alpha.,5.alpha.)-(.+-.)-
SpectraBase Compound ID HFlz54N1Mbx
InChI InChI=1S/C12H20O3/c1-6-14-10-8-7(9(13)15-10)11(2,3)12(8,4)5/h7-8,10H,6H2,1-5H3/t7-,8+,10+/m1/s1
InChIKey XSNXSQAWUUWEOV-WEDXCCLWSA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H7bfPuHv9wk
Name 3-Oxabicyclo[3.2.0]heptan-2-one, 4-ethoxy-6,6,7,7-tetramethyl-, (1.alpha.,4.alpha.,5.alpha.)-(.+-.)-
CAS Registry Number 70870-97-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-6-14-10-8-7(9(13)15-10)11(2,3)12(8,4)5/h7-8,10H,6H2,1-5H3/t7-,8+,10+/m1/s1
InChIKey XSNXSQAWUUWEOV-WEDXCCLWSA-N
Molecular Weight 212.289 g/mol
SMILES [C@@]12(C(C)(C)C([C@@]2([C@@](OCC)(OC1=O)[H])[H])(C)C)[H]
SPLASH splash10-03dr-5900000000-1a54ed408f02435f650c
Source of Spectrum F-35-27-0
Synonyms (1S,4S,5R)-4-ethoxy-6,6,7,7-tetramethyl-3-oxabicyclo[3.2.0]heptan-2-one 3,3,4,4-Tetramethyl-2-formylcyclobutan-1-carboxylic acid
Wiley ID 1211450