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1a-(fluoranylmethyl)-7a-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphtho[2,3-b]oxirene-2,7-dione
SpectraBase Compound ID 3Ki5xdoy1bU
InChI InChI=1S/C31H45FO3/c1-22(2)11-8-12-23(3)13-9-14-24(4)15-10-16-25(5)19-20-30-28(33)26-17-6-7-18-27(26)29(34)31(30,21-32)35-30/h6-7,17-19,22-24H,8-16,20-21H2,1-5H3/b25-19+
InChIKey IOBYLHHKZAVEDW-NCELDCMTSA-N
Mol Weight 484.7 g/mol
Molecular Formula C31H45FO3
Exact Mass 484.335273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 62yhwFX3hzd
Name 1a-(fluoranylmethyl)-7a-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphtho[2,3-b]oxirene-2,7-dione
Alternate Name(s) 1a-(fluoromethyl)-7a-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphtho[2,3-b]oxirene-2,7-dione 2-(Fluoromethyl)-3-phytyl-1,4-naphthoquinone - 2,3-Epoxide 1a-(fluoromethyl)-7a-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphtho[2,3-b]oxirene-2,7-quinone (E)-1a-(fluoromethyl)-7a-(3,7,11,15-tetramethylhexadec-2-en-1-yl)naphtho[2,3-b]oxirene-2,7(1aH,7aH)-dione
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Formula C31H45FO3
InChI InChI=1S/C31H45FO3/c1-22(2)11-8-12-23(3)13-9-14-24(4)15-10-16-25(5)19-20-30-28(33)26-17-6-7-18-27(26)29(34)31(30,21-32)35-30/h6-7,17-19,22-24H,8-16,20-21H2,1-5H3/b25-19+
InChIKey IOBYLHHKZAVEDW-NCELDCMTSA-N
Molecular Weight 484.696 g/mol
SMILES C12(C(C(=O)c3c(C2=O)cccc3)(C\C=C\(CCCC(CCCC(CCCC(C)C)C)C)C)O1)CF
SPLASH splash10-05fr-0090000000-f698027599f231a45612
Source of Spectrum SK-20-435-5
Wiley ID 851357