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ethyl 4-benzyloxy-2-hydroxy-6-[(2'-pentyl-1',3'-dioxolan-2'-yl)methyl]benzoate
SpectraBase Compound ID FarYLhRlIPx
InChI InChI=1S/C25H32O6/c1-3-5-9-12-25(30-13-14-31-25)17-20-15-21(29-18-19-10-7-6-8-11-19)16-22(26)23(20)24(27)28-4-2/h6-8,10-11,15-16,26H,3-5,9,12-14,17-18H2,1-2H3
InChIKey AGGFEDHOXKPPNY-UHFFFAOYSA-N
Mol Weight 428.5 g/mol
Molecular Formula C25H32O6
Exact Mass 428.219889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3w42N2Dudc
Name ethyl 4-benzyloxy-2-hydroxy-6-[(2'-pentyl-1',3'-dioxolan-2'-yl)methyl]benzoate
Alternate Name(s) ethyl 4-(benzyloxy)-2-hydroxy-6-[(2-pentyl-1,3-dioxolan-2-yl)methyl]benzoate
Comments Less than 3 mono-isotopic peaks
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Formula C25H32O6
InChI InChI=1S/C25H32O6/c1-3-5-9-12-25(30-13-14-31-25)17-20-15-21(29-18-19-10-7-6-8-11-19)16-22(26)23(20)24(27)28-4-2/h6-8,10-11,15-16,26H,3-5,9,12-14,17-18H2,1-2H3
InChIKey AGGFEDHOXKPPNY-UHFFFAOYSA-N
Molecular Weight 428.525 g/mol
SMILES Oc1c(c(CC2(OCCO2)CCCCC)cc(c1)OCc1ccccc1)C(=O)OCC
SPLASH splash10-0006-0900000000-068327bba980f5a77123
Source of Spectrum JA-50-479-0
Wiley ID 1380754