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2,4,6-Tri(5-brom-3-methylpentyl)-1,3,5-trioxane
SpectraBase Compound ID ABGGB7xHYX1
InChI InChI=1S/C21H39Br3O3/c1-16(10-13-22)4-7-19-25-20(8-5-17(2)11-14-23)27-21(26-19)9-6-18(3)12-15-24/h16-21H,4-15H2,1-3H3
InChIKey AJWQKAXVVYZQIV-UHFFFAOYSA-N
Mol Weight 579.3 g/mol
Molecular Formula C21H39Br3O3
Exact Mass 576.044934 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HHNVsV2p4tB
Name 2,4,6-Tri(5-brom-3-methylpentyl)-1,3,5-trioxane
Alternate Name(s) 2,4,6-tris(5-bromo-3-methylpentyl)-1,3,5-trioxane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H39Br3O3
InChI InChI=1S/C21H39Br3O3/c1-16(10-13-22)4-7-19-25-20(8-5-17(2)11-14-23)27-21(26-19)9-6-18(3)12-15-24/h16-21H,4-15H2,1-3H3
InChIKey AJWQKAXVVYZQIV-UHFFFAOYSA-N
Molecular Weight 579.252 g/mol
SMILES C1(OC(OC(O1)CCC(CCBr)C)CCC(CCBr)C)CCC(CCBr)C
SPLASH splash10-01ox-0900000000-4d94f1c7c6c606281063
Source of Spectrum KC-57-6186-17
Wiley ID 1625125