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2,4,6-Trioctyl-1,3,5-trioxane

View entire compound with spectra: 1 MS (GC)

2,4,6-Trioctyl-1,3,5-trioxane
SpectraBase Compound ID 5lp2uyoYwWI
InChI InChI=1S/C27H54O3/c1-4-7-10-13-16-19-22-25-28-26(23-20-17-14-11-8-5-2)30-27(29-25)24-21-18-15-12-9-6-3/h25-27H,4-24H2,1-3H3
InChIKey NYNNHRNLJIKBOW-UHFFFAOYSA-N
Mol Weight 426.7 g/mol
Molecular Formula C27H54O3
Exact Mass 426.407296 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4JNQEjMVWlO
Name 2,4,6-Trioctyl-1,3,5-trioxane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H54O3
InChI InChI=1S/C27H54O3/c1-4-7-10-13-16-19-22-25-28-26(23-20-17-14-11-8-5-2)30-27(29-25)24-21-18-15-12-9-6-3/h25-27H,4-24H2,1-3H3
InChIKey NYNNHRNLJIKBOW-UHFFFAOYSA-N
Molecular Weight 426.726 g/mol
SMILES C1(OC(OC(O1)CCCCCCCC)CCCCCCCC)CCCCCCCC
SPLASH splash10-014l-4590200000-c2cb2e0edec82911ce4a
Source of Spectrum KC-57-6185-3
Wiley ID 1625140