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1a-(difluoromethyl)-7a-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphtho[2,3-b]oxirene-2,7-dione
SpectraBase Compound ID 6R3dD9ndeR9
InChI InChI=1S/C31H44F2O3/c1-21(2)11-8-12-22(3)13-9-14-23(4)15-10-16-24(5)19-20-30-27(34)25-17-6-7-18-26(25)28(35)31(30,36-30)29(32)33/h6-7,17-19,21-23,29H,8-16,20H2,1-5H3/b24-19+
InChIKey HFTGXIVJCYHXLJ-LYBHJNIJSA-N
Mol Weight 502.7 g/mol
Molecular Formula C31H44F2O3
Exact Mass 502.325852 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KLfC8sz6rZF
Name 1a-(difluoromethyl)-7a-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphtho[2,3-b]oxirene-2,7-dione
Alternate Name(s) 1a-(difluoromethyl)-7a-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphtho[2,3-b]oxirene-2,7-quinone 1a-[bis(fluoranyl)methyl]-7a-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphtho[2,3-b]oxirene-2,7-dione
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Formula C31H44F2O3
InChI InChI=1S/C31H44F2O3/c1-21(2)11-8-12-22(3)13-9-14-23(4)15-10-16-24(5)19-20-30-27(34)25-17-6-7-18-26(25)28(35)31(30,36-30)29(32)33/h6-7,17-19,21-23,29H,8-16,20H2,1-5H3/b24-19+
InChIKey HFTGXIVJCYHXLJ-LYBHJNIJSA-N
Molecular Weight 502.687 g/mol
SMILES C12(C(C(=O)c3c(C2=O)cccc3)(C\C=C\(CCCC(CCCC(CCCC(C)C)C)C)C)O1)C(F)F
SPLASH splash10-0002-7950000000-eef621250ab433fc329e
Source of Spectrum SK-20-437-8
Wiley ID 851354