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(1S,5R,6R)-5-Allyl-5-fluoro-7-oxabicyclo[4.1.0]hept-3-en-2-one
SpectraBase Compound ID BNwdr5VMPlZ
InChI InChI=1S/C9H9FO2/c1-2-4-9(10)5-3-6(11)7-8(9)12-7/h2-3,5,7-8H,1,4H2/t7-,8-,9-/m1/s1
InChIKey DKXWUACZTXACTK-IWSPIJDZSA-N
Mol Weight 168.17 g/mol
Molecular Formula C9H9FO2
Exact Mass 168.058658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9XSqbBKxtDa
Name (1S,5R,6R)-5-Allyl-5-fluoro-7-oxabicyclo[4.1.0]hept-3-en-2-one
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9FO2
InChI InChI=1S/C9H9FO2/c1-2-4-9(10)5-3-6(11)7-8(9)12-7/h2-3,5,7-8H,1,4H2/t7-,8-,9-/m1/s1
InChIKey DKXWUACZTXACTK-IWSPIJDZSA-N
Instrument Name Finnigan MAT 312
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0005.202
Molecular Weight 168.167 g/mol
SMILES C(C[C@]1(C=CC([C@]2(O[C@@]12[H])[H])=O)F)=C
SPLASH splash10-0002-5900000000-92aa7c482452e05706c2
Source of Spectrum ARK-2004-22-29
Wiley ID 1875933