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1-(2,2-diethyl-1,3-dioxan-5-yl)-6-(hydroxymethyl)-1-octyn-3-one
SpectraBase Compound ID 3PUr0hqglff
InChI InChI=1S/C17H28O4/c1-4-14(11-18)7-9-16(19)10-8-15-12-20-17(5-2,6-3)21-13-15/h14-15,18H,4-7,9,11-13H2,1-3H3
InChIKey MISQZWHSCXBJHD-UHFFFAOYSA-N
Mol Weight 296.41 g/mol
Molecular Formula C17H28O4
Exact Mass 296.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Ok0zgRggAb
Name 1-(2,2-diethyl-1,3-dioxan-5-yl)-6-(hydroxymethyl)-1-octyn-3-one
Alternate Name(s) 1-(2,2-diethyl-1,3-dioxan-5-yl)-6-(hydroxymethyl)oct-1-yn-3-one 1-(2,2-diethyl-1,3-dioxan-5-yl)-6-methylol-oct-1-yn-3-one
CAS Registry Number 121363-50-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28O4
InChI InChI=1S/C17H28O4/c1-4-14(11-18)7-9-16(19)10-8-15-12-20-17(5-2,6-3)21-13-15/h14-15,18H,4-7,9,11-13H2,1-3H3
InChIKey MISQZWHSCXBJHD-UHFFFAOYSA-N
Molecular Weight 296.407 g/mol
SMILES OCC(CCC(C#CC1COC(OC1)(CC)CC)=O)CC
SPLASH splash10-014i-1290000000-ac9123eadf9208d6be68
Source of Spectrum KC-1990-1418-10
Wiley ID 1299199