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6-Methyl-2-octyl-1,3-dioxan-4-one

View entire compound with spectra: 2 MS (GC)

6-Methyl-2-octyl-1,3-dioxan-4-one
SpectraBase Compound ID BfCR7ThvWq
InChI InChI=1S/C13H24O3/c1-3-4-5-6-7-8-9-13-15-11(2)10-12(14)16-13/h11,13H,3-10H2,1-2H3
InChIKey XNOISOVRSLUQEF-UHFFFAOYSA-N
Mol Weight 228.33 g/mol
Molecular Formula C13H24O3
Exact Mass 228.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FdNd9TDuBPa
Name 6-Methyl-2-octyl-1,3-dioxan-4-one
Alternate Name(s) 1,3-Dioxan-4-one, 6-methyl-2-octyl-, (2R-cis)-
CAS Registry Number 99902-25-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H24O3
InChI InChI=1S/C13H24O3/c1-3-4-5-6-7-8-9-13-15-11(2)10-12(14)16-13/h11,13H,3-10H2,1-2H3
InChIKey XNOISOVRSLUQEF-UHFFFAOYSA-N
Molecular Weight 228.332 g/mol
SMILES CC1OC(OC(C1)=O)CCCCCCCC
SPLASH splash10-014l-9100000000-f8a142e9c74f310282c6
Wiley ID 1486106