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14-Oxo-2,7,13-trioxapentacyclo[6.4.1.1(9,12).0(3,11).0(6,10)]tetradecane
SpectraBase Compound ID 9VSE4QOTE9t
InChI InChI=1S/C11H12O4/c12-9-7-5-3-1-2-4-6(5)8(9)11(14-4)15-10(7)13-3/h3-8,10-11H,1-2H2/t3-,4?,5?,6-,7-,8+,10+,11-/m1/s1
InChIKey YAPSZNVSIOAJGV-MBTWGYARSA-N
Mol Weight 208.21 g/mol
Molecular Formula C11H12O4
Exact Mass 208.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 96QtlGyWm6r
Name 14-Oxo-2,7,13-trioxapentacyclo[6.4.1.1(9,12).0(3,11).0(6,10)]tetradecane
Alternate Name(s) 2,4,14-trioxapentacyclo[6.5.1.0(3,11).0(5,10).0(9,13)]tetradecan-12-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O4
InChI InChI=1S/C11H12O4/c12-9-7-5-3-1-2-4-6(5)8(9)11(14-4)15-10(7)13-3/h3-8,10-11H,1-2H2/t3-,4?,5?,6-,7-,8+,10+,11-/m1/s1
InChIKey YAPSZNVSIOAJGV-MBTWGYARSA-N
Molecular Weight 208.213 g/mol
SMILES [C@]12(O[C@@]3(CCC4O[C@@]([C@]5([C@]4(C3[C@@]1(C5=O)[H])[H])[H])(O2)[H])[H])[H]
SPLASH splash10-06si-9880000000-58a232133256eee24735
Source of Spectrum J-66-4616-35
Wiley ID 1535506