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(2Z,4E)-5-[(1S)-3-fluoranyl-2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl]-3-methyl-penta-2,4-dienoic acid

View entire compound with spectra: 1 MS (GC)

(2Z,4E)-5-[(1S)-3-fluoranyl-2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl]-3-methyl-penta-2,4-dienoic acid
SpectraBase Compound ID 6bfhOWB6rHZ
InChI InChI=1S/C15H19FO4/c1-9(7-12(18)19)5-6-15(20)10(2)13(16)11(17)8-14(15,3)4/h5-7,20H,8H2,1-4H3,(H,18,19)/b6-5+,9-7-/t15-/m1/s1
InChIKey GXNCANRRVMZEOB-QMQPWKDKSA-N
Mol Weight 282.31 g/mol
Molecular Formula C15H19FO4
Exact Mass 282.126737 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 18RSZiEWno
Name (2Z,4E)-5-[(1S)-3-fluoranyl-2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl]-3-methyl-penta-2,4-dienoic acid
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Formula C15H19FO4
InChI InChI=1S/C15H19FO4/c1-9(7-12(18)19)5-6-15(20)10(2)13(16)11(17)8-14(15,3)4/h5-7,20H,8H2,1-4H3,(H,18,19)/b6-5+,9-7-/t15-/m1/s1
InChIKey GXNCANRRVMZEOB-QMQPWKDKSA-N
Molecular Weight 282.311 g/mol
SMILES OC(\C=C/(\C=C\[C@]1(C(=C(C(CC1(C)C)=O)F)C)O)C)=O
SPLASH splash10-053r-0950000000-ed6080f85c11ed332202
Source of Spectrum F-51-6922-5
Synonyms (2Z,4E)-5-[(1S)-3-fluoro-1-hydroxy-2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl]-3-methylpenta-2,4-dienoic acid (2Z,4E)-5-[(1S)-3-fluoro-1-hydroxy-2,6,6-trimethyl-4-oxo-cyclohex-2-en-1-yl]-3-methyl-penta-2,4-dienoic acid (2Z,4E)-5-[(1S)-3-fluoro-1-hydroxy-4-keto-2,6,6-trimethyl-cyclohex-2-en-1-yl]-3-methyl-penta-2,4-dienoic acid
Wiley ID 792153