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(3aS,4aS,8aR)-3a,4,4-trifluorohexahydro-2H-benzo[1,4]cyclobuta[1,2-b]furan-5(6H)-one
SpectraBase Compound ID 9O5571DNroD
InChI InChI=1S/C10H11F3O2/c11-9-4-5-15-8(9)3-1-2-6(14)7(8)10(9,12)13/h7H,1-5H2/t7-,8-,9+/m1/s1
InChIKey XBNPJEATPFTVMD-HLTSFMKQSA-N
Mol Weight 220.19 g/mol
Molecular Formula C10H11F3O2
Exact Mass 220.071114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HQUdNbOnD1m
Name (3aS,4aS,8aR)-3a,4,4-trifluorohexahydro-2H-benzo[1,4]cyclobuta[1,2-b]furan-5(6H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H11F3O2
InChI InChI=1S/C10H11F3O2/c11-9-4-5-15-8(9)3-1-2-6(14)7(8)10(9,12)13/h7H,1-5H2/t7-,8-,9+/m1/s1
InChIKey XBNPJEATPFTVMD-HLTSFMKQSA-N
Literature Reference DOI 10.1002/anie.201204080
Molecular Weight 220.191 g/mol
SMILES C1CCC(=O)[C@@]2([C@@]11[C@](C2(F)F)(CCO1)F)[H]
SPLASH splash10-0c03-7910000000-4d36bc4f4501be56c678
Source of Spectrum ACI-51-SMS14-5c
Wiley ID 1780525