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5-[4,6-bis(5-keto-5-propoxy-pentyl)-1,3,5-trioxan-2-yl]valeric acid propyl ester
SpectraBase Compound ID BlHurLNhvVQ
InChI InChI=1S/C27H48O9/c1-4-19-31-22(28)13-7-10-16-25-34-26(17-11-8-14-23(29)32-20-5-2)36-27(35-25)18-12-9-15-24(30)33-21-6-3/h25-27H,4-21H2,1-3H3
InChIKey QEISTDUZCGVFFE-UHFFFAOYSA-N
Mol Weight 516.7 g/mol
Molecular Formula C27H48O9
Exact Mass 516.329833 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IVapW2LwbF6
Name 5-[4,6-bis(5-keto-5-propoxy-pentyl)-1,3,5-trioxan-2-yl]valeric acid propyl ester
Alternate Name(s) 5-[4,6-bis(5-oxo-5-propoxypentyl)-1,3,5-trioxan-2-yl]pentanoic acid propyl ester Propyl 5-[4,6-bis(5-oxidanylidene-5-propoxy-pentyl)-1,3,5-trioxan-2-yl]pentanoate Propyl 5-[4,6-bis(5-oxo-5-propoxy-pentyl)-1,3,5-trioxan-2-yl]pentanoate
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Formula C27H48O9
InChI InChI=1S/C27H48O9/c1-4-19-31-22(28)13-7-10-16-25-34-26(17-11-8-14-23(29)32-20-5-2)36-27(35-25)18-12-9-15-24(30)33-21-6-3/h25-27H,4-21H2,1-3H3
InChIKey QEISTDUZCGVFFE-UHFFFAOYSA-N
Molecular Weight 516.672 g/mol
SMILES C1(OC(OC(O1)CCCCC(=O)OCCC)CCCCC(=O)OCCC)CCCCC(=O)OCCC
SPLASH splash10-0006-4900100000-88d36374bc0d5cf4ebd1
Source of Spectrum U1-2002-3426-12
Wiley ID 1523283