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1alpha -Fluoro-alpha-selinene
SpectraBase Compound ID 2PN75uzjBLk
InChI InChI=1S/C15H23F/c1-10(2)12-7-8-15(4)13(9-12)11(3)5-6-14(15)16/h5,12-14H,1,6-9H2,2-4H3/t12-,13+,14+,15-/m1/s1
InChIKey PFVIUGJCFDXNDY-CBBWQLFWSA-N
Mol Weight 222.35 g/mol
Molecular Formula C15H23F
Exact Mass 222.178379 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4fvnOBiJdo
Name 1alpha -Fluoro-alpha-selinene
Alternate Name(s) (2R,4aR,5S,8aS)-5-fluoro-4a,8-dimethyl-2-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene
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Formula C15H23F
InChI InChI=1S/C15H23F/c1-10(2)12-7-8-15(4)13(9-12)11(3)5-6-14(15)16/h5,12-14H,1,6-9H2,2-4H3/t12-,13+,14+,15-/m1/s1
InChIKey PFVIUGJCFDXNDY-CBBWQLFWSA-N
Literature Reference DOI 10.1002/cbic.200700398
Molecular Weight 222.347 g/mol
SMILES C1(=CC[C@@]([C@@]2(CC[C@](C[C@@]12[H])(C(=C)C)[H])C)(F)[H])C
SPLASH splash10-0ab9-2590000000-29d1d3d2ad129950c5ba
Source of Spectrum CBC-8-1826/SM6-19b
Wiley ID 1788801