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2-Pentanone, 5-(2-pentyl-1,3-dioxan-4-yl)-, cis-(.+-.)-
SpectraBase Compound ID 5B0Ju2TJAqU
InChI InChI=1S/C14H26O3/c1-3-4-5-9-14-16-11-10-13(17-14)8-6-7-12(2)15/h13-14H,3-11H2,1-2H3/t13-,14+/m1/s1
InChIKey RMJULBSGURSLEE-KGLIPLIRSA-N
Mol Weight 242.36 g/mol
Molecular Formula C14H26O3
Exact Mass 242.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jy2PQiWJZXq
Name 2-Pentanone, 5-(2-pentyl-1,3-dioxan-4-yl)-, cis-(.+-.)-
Alternate Name(s) 5-[(2S,4R)-2-pentyl-1,3-dioxan-4-yl]-2-pentanone cis-4-(4-oxopentyl)-2-pentyl-1,3-dioxane
CAS Registry Number 104863-28-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H26O3
InChI InChI=1S/C14H26O3/c1-3-4-5-9-14-16-11-10-13(17-14)8-6-7-12(2)15/h13-14H,3-11H2,1-2H3/t13-,14+/m1/s1
InChIKey RMJULBSGURSLEE-KGLIPLIRSA-N
Molecular Weight 242.359 g/mol
SMILES [C@@]1(O[C@@](CCO1)(CCCC(=O)C)[H])(CCCCC)[H]
SPLASH splash10-0006-9400000000-63d34a28f9c72d99b7d0
Source of Spectrum KC-1985-2099-38
Wiley ID 1245196