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6,7,7-Trifluoro-2-oxa-tricyclo[6.3.0.01,6]undecan-9-one
SpectraBase Compound ID L97aGSrdqkE
InChI InChI=1S/C11H13F3O2/c12-10-5-2-6-16-9(10)4-1-3-7(15)8(9)11(10,13)14/h8H,1-6H2/t8-,9-,10+/m1/s1
InChIKey PLAIJAYSXXMALY-BBBLOLIVSA-N
Mol Weight 234.22 g/mol
Molecular Formula C11H13F3O2
Exact Mass 234.086764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ITOY2zNTrgM
Name 6,7,7-Trifluoro-2-oxa-tricyclo[6.3.0.01,6]undecan-9-one
Alternate Name(s) (4aS,5aS,9aR)-4a,5,5-trifluorooctahydrobenzo[1,4]cyclobuta[1,2-b]pyran-6(7H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13F3O2
InChI InChI=1S/C11H13F3O2/c12-10-5-2-6-16-9(10)4-1-3-7(15)8(9)11(10,13)14/h8H,1-6H2/t8-,9-,10+/m1/s1
InChIKey PLAIJAYSXXMALY-BBBLOLIVSA-N
Literature Reference DOI 10.1002/anie.201204080
Molecular Weight 234.218 g/mol
SMILES C1CCC(=O)[C@@]2([C@@]11[C@](CCCO1)(F)C2(F)F)[H]
SPLASH splash10-0a6r-3980000000-203893c79ba0a2e826f0
Source of Spectrum ACI-51-SMS27-9b
Wiley ID 1780534