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(E)-5,5-Difluoro-4-hydroxy-3-methyl-2-dodecen-6-one
SpectraBase Compound ID FemprB0MCts
InChI InChI=1S/C13H22F2O2/c1-4-6-7-8-9-11(16)13(14,15)12(17)10(3)5-2/h5,12,17H,4,6-9H2,1-3H3/b10-5+
InChIKey BIGNXVZIHVQUKL-BJMVGYQFSA-N
Mol Weight 248.31 g/mol
Molecular Formula C13H22F2O2
Exact Mass 248.158786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IEhzMgpxH26
Name (E)-5,5-Difluoro-4-hydroxy-3-methyl-2-dodecen-6-one
Alternate Name(s) (2E)-5,5-difluoro-4-hydroxy-3-methyl-2-dodecen-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22F2O2
InChI InChI=1S/C13H22F2O2/c1-4-6-7-8-9-11(16)13(14,15)12(17)10(3)5-2/h5,12,17H,4,6-9H2,1-3H3/b10-5+
InChIKey BIGNXVZIHVQUKL-BJMVGYQFSA-N
Molecular Weight 248.314 g/mol
SMILES OC(C(C(=O)CCCCCC)(F)F)\C(=C\C)C
SPLASH splash10-000i-9100000000-451ccc78dd3e17f89440
Source of Spectrum AJ-63-433-4
Wiley ID 1250965