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ethyl 6-[(2'-heptyl-1',3'-dioxolan-2'-yl)methyl]-2-hydroxy-4-methoxybenzoate
SpectraBase Compound ID 83KtPZltkDp
InChI InChI=1S/C21H32O6/c1-4-6-7-8-9-10-21(26-11-12-27-21)15-16-13-17(24-3)14-18(22)19(16)20(23)25-5-2/h13-14,22H,4-12,15H2,1-3H3
InChIKey OURCCCGQUXJSKA-UHFFFAOYSA-N
Mol Weight 380.5 g/mol
Molecular Formula C21H32O6
Exact Mass 380.219889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H65Pslm0Nao
Name ethyl 6-[(2'-heptyl-1',3'-dioxolan-2'-yl)methyl]-2-hydroxy-4-methoxybenzoate
Alternate Name(s) ethyl 2-[(2-heptyl-1,3-dioxolan-2-yl)methyl]-6-hydroxy-4-methoxybenzoate
Comments Less than 3 mono-isotopic peaks
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Formula C21H32O6
InChI InChI=1S/C21H32O6/c1-4-6-7-8-9-10-21(26-11-12-27-21)15-16-13-17(24-3)14-18(22)19(16)20(23)25-5-2/h13-14,22H,4-12,15H2,1-3H3
InChIKey OURCCCGQUXJSKA-UHFFFAOYSA-N
Molecular Weight 380.481 g/mol
SMILES Oc1c(c(CC2(OCCO2)CCCCCCC)cc(c1)OC)C(=O)OCC
SPLASH splash10-00di-0900000000-be7f0452f26e44bd8598
Source of Spectrum JA-49-917-0
Wiley ID 1359739