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2,4,6-Tri(4-methoxycarbonylbutyl)-1,3,5-trioxane
SpectraBase Compound ID 5wE5Q2UUVBf
InChI InChI=1S/C21H36O9/c1-25-16(22)10-4-7-13-19-28-20(14-8-5-11-17(23)26-2)30-21(29-19)15-9-6-12-18(24)27-3/h19-21H,4-15H2,1-3H3
InChIKey RCMVXCQPYBBDJJ-UHFFFAOYSA-N
Mol Weight 432.5 g/mol
Molecular Formula C21H36O9
Exact Mass 432.235933 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AgB5QZjqjPS
Name 2,4,6-Tri(4-methoxycarbonylbutyl)-1,3,5-trioxane
Alternate Name(s) Methyl 5-[4,6-bis(5-methoxy-5-oxopentyl)-1,3,5-trioxan-2-yl]pentanoate
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Formula C21H36O9
InChI InChI=1S/C21H36O9/c1-25-16(22)10-4-7-13-19-28-20(14-8-5-11-17(23)26-2)30-21(29-19)15-9-6-12-18(24)27-3/h19-21H,4-15H2,1-3H3
InChIKey RCMVXCQPYBBDJJ-UHFFFAOYSA-N
Molecular Weight 432.510 g/mol
SMILES C1(OC(OC(O1)CCCCC(=O)OC)CCCCC(=O)OC)CCCCC(=O)OC
SPLASH splash10-01ot-0900000000-2812f49179812dfa1fe2
Source of Spectrum KC-57-6185-13
Wiley ID 1625130