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Methyl 3-{4'-(2''-methoxycarbonyl)ethoxy]-3'-{[2"-(methoxycarbonyl)ethoxy]methyl}-5'-methylhexan-2'-yloxy}-propanoate
SpectraBase Compound ID DgUGiMJDNzr
InChI InChI=1S/C20H36O9/c1-14(2)20(29-12-9-19(23)26-6)16(13-27-10-7-17(21)24-4)15(3)28-11-8-18(22)25-5/h14-16,20H,7-13H2,1-6H3
InChIKey BOXRQVUQVHDNRN-UHFFFAOYSA-N
Mol Weight 420.5 g/mol
Molecular Formula C20H36O9
Exact Mass 420.235933 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8JYehnBrPMX
Name Methyl 3-{4'-(2''-methoxycarbonyl)ethoxy]-3'-{[2"-(methoxycarbonyl)ethoxy]methyl}-5'-methylhexan-2'-yloxy}-propanoate
Alternate Name(s) Methyl 3-{1-isopropyl-3-(3-methoxy-3-oxopropoxy)-2-[(3-methoxy-3-oxopropoxy)methyl]butoxy}propanoate Methyl 3-{4'-(2''-methoxycarbonyl)ethoxy]-3'-{[2''-(methoxycarbonyl)ethoxy]methyl}-5'-methylhexan-2'-yloxy}-propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H36O9
InChI InChI=1S/C20H36O9/c1-14(2)20(29-12-9-19(23)26-6)16(13-27-10-7-17(21)24-4)15(3)28-11-8-18(22)25-5/h14-16,20H,7-13H2,1-6H3
InChIKey BOXRQVUQVHDNRN-UHFFFAOYSA-N
Molecular Weight 420.499 g/mol
SMILES C(C(C(C)C)OCCC(=O)OC)(C(OCCC(=O)OC)C)COCCC(=O)OC
SPLASH splash10-053i-9800000000-2bfecaaedb995e6f49f1
Source of Spectrum H-76-2427-10
Wiley ID 1377862