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1-Acetoxytricyclo[5.4.0.0(2,6)]undecan-8-one isomer
SpectraBase Compound ID 8rb2IzhenSG
InChI InChI=1S/C13H18O3/c1-8(14)16-13-7-3-6-11(15)12(13)9-4-2-5-10(9)13/h9-10,12H,2-7H2,1H3/t9-,10+,12-,13-/m1/s1
InChIKey FWXDRPRKGUQOSH-LYIQGSDWSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JOTGFwecUeC
Name 1-Acetoxytricyclo[5.4.0.0(2,6)]undecan-8-one isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-8(14)16-13-7-3-6-11(15)12(13)9-4-2-5-10(9)13/h9-10,12H,2-7H2,1H3/t9-,10+,12-,13-/m1/s1
InChIKey FWXDRPRKGUQOSH-LYIQGSDWSA-N
Molecular Weight 222.284 g/mol
SMILES [C@]12([C@](C(=O)CCC2)([H])[C@]2([C@@]1(CCC2)[H])[H])OC(=O)C
SPLASH splash10-03di-4900000000-2b150703c6931c9b2824
Source of Spectrum AJ-66-564-4
Synonyms Acetic acid (3aS,3bR,7aS,7bR)-7-oxo-decahydro-cyclopenta[3,4]cyclobuta[1,2]benzen-3b-yl ester
Wiley ID 771911