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1,3-Dioxane, 2-[3-(3-furanyl)-1-propenyl]-2,5,5-trimethyl-, (E)-
SpectraBase Compound ID JYkpE3J3qxU
InChI InChI=1S/C14H20O3/c1-13(2)10-16-14(3,17-11-13)7-4-5-12-6-8-15-9-12/h4,6-9H,5,10-11H2,1-3H3/b7-4+
InChIKey XCQPULRYSCXOSS-QPJJXVBHSA-N
Mol Weight 236.31 g/mol
Molecular Formula C14H20O3
Exact Mass 236.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GODDraRIFV0
Name 1,3-Dioxane, 2-[3-(3-furanyl)-1-propenyl]-2,5,5-trimethyl-, (E)-
CAS Registry Number 128671-54-5
Comments Less than 3 mono-isotopic peaks
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Formula C14H20O3
InChI InChI=1S/C14H20O3/c1-13(2)10-16-14(3,17-11-13)7-4-5-12-6-8-15-9-12/h4,6-9H,5,10-11H2,1-3H3/b7-4+
InChIKey XCQPULRYSCXOSS-QPJJXVBHSA-N
Molecular Weight 236.311 g/mol
SMILES C1(OCC(CO1)(C)C)(\C=C\Cc1cocc1)C
SPLASH splash10-00dr-0490000000-eaaf3d79efc444045340
Source of Spectrum F-46-1206-11
Synonyms 1-(3'-Furyl)-4,4-(2'-dimethyl-1',3'-propanedioxy)-2-pentene 2-[(1E)-3-(3-furyl)-1-propenyl]-2,5,5-trimethyl-1,3-dioxane
Wiley ID 1238392