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(6R)-5,5-Difluoro-6-[(2R,3S,4R,5S,E)-2-hydroxy-4-methoxy-3,5-dimethylnon-7-enyl]-5,6-dihydro-2H-pyran-2-one
SpectraBase Compound ID Een67mQO5cV
InChI InChI=1S/C17H26F2O4/c1-5-6-7-11(2)16(22-4)12(3)13(20)10-14-17(18,19)9-8-15(21)23-14/h5-6,8-9,11-14,16,20H,7,10H2,1-4H3/b6-5+/t11-,12-,13+,14+,16+/m0/s1
InChIKey QXUAHMMXXFBABJ-MWGDHCHASA-N
Mol Weight 332.39 g/mol
Molecular Formula C17H26F2O4
Exact Mass 332.179916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F0vvH2QORrR
Name (6R)-5,5-Difluoro-6-[(2R,3S,4R,5S,E)-2-hydroxy-4-methoxy-3,5-dimethylnon-7-enyl]-5,6-dihydro-2H-pyran-2-one
Alternate Name(s) (2R)-3,3-difluoro-2-[(E,2R,3S,4R,5S)-2-hydroxy-4-methoxy-3,5-dimethylnon-7-enyl]-2H-pyran-6-one (2R)-3,3-bis(fluoranyl)-2-[(E,2R,3S,4R,5S)-4-methoxy-3,5-dimethyl-2-oxidanyl-non-7-enyl]-2H-pyran-6-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26F2O4
InChI InChI=1S/C17H26F2O4/c1-5-6-7-11(2)16(22-4)12(3)13(20)10-14-17(18,19)9-8-15(21)23-14/h5-6,8-9,11-14,16,20H,7,10H2,1-4H3/b6-5+/t11-,12-,13+,14+,16+/m0/s1
InChIKey QXUAHMMXXFBABJ-MWGDHCHASA-N
Molecular Weight 332.388 g/mol
SMILES O[C@@]([C@@]([C@@]([C@](C\C=C\C)(C)[H])(OC)[H])(C)[H])(C[C@@]1(C(C=CC(=O)O1)(F)F)[H])[H]
SPLASH splash10-00di-9000000000-293190c156b799420a77
Source of Spectrum F4-42-274-1a
Wiley ID 1673561