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4-[4,6-bis(4-keto-4-methoxy-butyl)-1,3,5-trioxan-2-yl]butyric acid methyl ester
SpectraBase Compound ID 7Ib4ZFARAxE
InChI InChI=1S/C18H30O9/c1-22-13(19)7-4-10-16-25-17(11-5-8-14(20)23-2)27-18(26-16)12-6-9-15(21)24-3/h16-18H,4-12H2,1-3H3
InChIKey XCXZXOHYNJRFKD-UHFFFAOYSA-N
Mol Weight 390.43 g/mol
Molecular Formula C18H30O9
Exact Mass 390.188983 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JKKYZ5Pi5Mf
Name 4-[4,6-bis(4-keto-4-methoxy-butyl)-1,3,5-trioxan-2-yl]butyric acid methyl ester
Alternate Name(s) 4-[4,6-bis(4-methoxy-4-oxobutyl)-1,3,5-trioxan-2-yl]butanoic acid methyl ester Methyl 4-[4,6-bis(4-methoxy-4-oxidanylidene-butyl)-1,3,5-trioxan-2-yl]butanoate Methyl 4-[4,6-bis(4-methoxy-4-oxo-butyl)-1,3,5-trioxan-2-yl]butanoate
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Formula C18H30O9
InChI InChI=1S/C18H30O9/c1-22-13(19)7-4-10-16-25-17(11-5-8-14(20)23-2)27-18(26-16)12-6-9-15(21)24-3/h16-18H,4-12H2,1-3H3
InChIKey XCXZXOHYNJRFKD-UHFFFAOYSA-N
Molecular Weight 390.429 g/mol
SMILES C1(OC(OC(O1)CCCC(=O)OC)CCCC(=O)OC)CCCC(=O)OC
SPLASH splash10-001j-7910000000-dd24bc917461df665e23
Source of Spectrum KC-57-6185-12
Wiley ID 1625131