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trans-3-fluoro-3,6,6-trimethlbicyclo[3.1.0]hexan-2-one
SpectraBase Compound ID FXH9yQP3rkG
InChI InChI=1S/C9H13FO/c1-8(2)5-4-9(3,10)7(11)6(5)8/h5-6H,4H2,1-3H3/t5-,6+,9?/m0/s1
InChIKey VAVPWLIZYMVDMK-NSYCXJRNSA-N
Mol Weight 156.2 g/mol
Molecular Formula C9H13FO
Exact Mass 156.095043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G4kbYJm5mJ2
Name trans-3-fluoro-3,6,6-trimethlbicyclo[3.1.0]hexan-2-one
CAS Registry Number 130446-78-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13FO
InChI InChI=1S/C9H13FO/c1-8(2)5-4-9(3,10)7(11)6(5)8/h5-6H,4H2,1-3H3/t5-,6+,9?/m0/s1
InChIKey VAVPWLIZYMVDMK-NSYCXJRNSA-N
Molecular Weight 156.200 g/mol
SMILES C1([C@]2(C(=O)C(C[C@]12[H])(F)C)[H])(C)C
SPLASH splash10-03di-0900000000-88df338947553a7bfca9
Source of Spectrum H-73-892-5
Synonyms (1S,5S)-3-fluoro-3,6,6-trimethylbicyclo[3.1.0]hexan-2-one
Wiley ID 1153577