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3-Oxepanol, 6-(2-hydroxyethylidene)-2-methyl-2-(4-methyl-4-pentenyl)-, (2.alpha.,3.beta.,6E)-(.+-.)-
SpectraBase Compound ID E9Pgf4PBGf4
InChI InChI=1S/C15H26O3/c1-12(2)5-4-9-15(3)14(17)7-6-13(8-10-16)11-18-15/h8,14,16-17H,1,4-7,9-11H2,2-3H3/b13-8+/t14-,15+/m0/s1
InChIKey KWKFNKOWGJQEGS-WAYTWBJWSA-N
Mol Weight 254.37 g/mol
Molecular Formula C15H26O3
Exact Mass 254.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DiF89i4uHFN
Name 3-Oxepanol, 6-(2-hydroxyethylidene)-2-methyl-2-(4-methyl-4-pentenyl)-, (2.alpha.,3.beta.,6E)-(.+-.)-
Alternate Name(s) (2R,3S,6E)-6-(2-hydroxyethylidene)-2-methyl-2-(4-methyl-4-pentenyl)-3-oxepanol (6E)(2SR,3RS)-2-(4-methyl-4-penten-1-yl)-6-(2-hydroxyethylidene)-2-methyl-oxepan-3-ol
CAS Registry Number 121957-99-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H26O3
InChI InChI=1S/C15H26O3/c1-12(2)5-4-9-15(3)14(17)7-6-13(8-10-16)11-18-15/h8,14,16-17H,1,4-7,9-11H2,2-3H3/b13-8+/t14-,15+/m0/s1
InChIKey KWKFNKOWGJQEGS-WAYTWBJWSA-N
Molecular Weight 254.370 g/mol
SMILES OC\C=C\1CO[C@@]([C@](CC1)(O)[H])(CCCC(=C)C)C
SPLASH splash10-0aor-9200000000-be270ebf89031624b31d
Source of Spectrum F-45-3845-20
Wiley ID 1257952