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Methyl nonactyl-nonactate
SpectraBase Compound ID AssDHPf7NCW
InChI InChI=1S/C21H36O7/c1-12(22)10-16-6-8-19(27-16)15(4)21(24)26-13(2)11-17-7-9-18(28-17)14(3)20(23)25-5/h12-19,22H,6-11H2,1-5H3
InChIKey AGMMQSSSWVGAOR-UHFFFAOYSA-N
Mol Weight 400.5 g/mol
Molecular Formula C21H36O7
Exact Mass 400.246103 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CD3aE4pzj9x
Name
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Formula C21H36O7
InChI InChI=1S/C21H36O7/c1-12(22)10-16-6-8-19(27-16)15(4)21(24)26-13(2)11-17-7-9-18(28-17)14(3)20(23)25-5/h12-19,22H,6-11H2,1-5H3
InChIKey AGMMQSSSWVGAOR-UHFFFAOYSA-N
Molecular Weight 400.2451
SMILES OC(C)CC1OC(CC1)C(C)C(=O)OC(C)CC1CCC(C(C(OC)=O)C)O1
SPLASH splash10-0a4m-9710000000-b494c4648a658709ddc0
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany