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1,3-Dioxane-4-methanol, 2,2,5-trimethyl-6-(1-methylethenyl)-, benzoate, (4.alpha.,5.alpha.,6.beta.)-(.+-.)-
SpectraBase Compound ID HuVGIfFAgDf
InChI InChI=1S/C18H24O4/c1-12(2)16-13(3)15(21-18(4,5)22-16)11-20-17(19)14-9-7-6-8-10-14/h6-10,13,15-16H,1,11H2,2-5H3
InChIKey GQIBYZDCIABNIX-UHFFFAOYSA-N
Mol Weight 304.39 g/mol
Molecular Formula C18H24O4
Exact Mass 304.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 25K8KG9vBh8
Name 1,3-Dioxane-4-methanol, 2,2,5-trimethyl-6-(1-methylethenyl)-, benzoate, (4.alpha.,5.alpha.,6.beta.)-(.+-.)-
Alternate Name(s) (3RS,4SR,5RS)-6-benzoyloxy-3,5-isopropylidenedioxy-2,4-dimethylhex-1-ene (6-isopropenyl-2,2,5-trimethyl-1,3-dioxan-4-yl)methyl benzoate 6-O-benzoyl-1,2,4-trideoxy-3,5-O-isopropylidene-2,4-di-c-methyl-lyxo-hex-1-enitol
CAS Registry Number 98004-16-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24O4
InChI InChI=1S/C18H24O4/c1-12(2)16-13(3)15(21-18(4,5)22-16)11-20-17(19)14-9-7-6-8-10-14/h6-10,13,15-16H,1,11H2,2-5H3
InChIKey GQIBYZDCIABNIX-UHFFFAOYSA-N
Molecular Weight 304.386 g/mol
SMILES C1(OC(C)(C)OC(C1C)COC(=O)c1ccccc1)C(=C)C
SPLASH splash10-0a4i-0900000000-cf4ad6bdb2706e03be12
Source of Spectrum KC-1985-15-49
Wiley ID 1306576