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(6R,4'S)-6-(2,2-Dimethyl-1,3-dioxolan-4-yl)-6-undecyl-5,6-dihydropyran-2-one
SpectraBase Compound ID 4ETwHBaUgib
InChI InChI=1S/C21H36O4/c1-4-5-6-7-8-9-10-11-12-15-21(16-13-14-19(22)25-21)18-17-23-20(2,3)24-18/h13-14,18H,4-12,15-17H2,1-3H3/t18-,21+/m0/s1
InChIKey DMCMDGNHTCGZCO-GHTZIAJQSA-N
Mol Weight 352.5 g/mol
Molecular Formula C21H36O4
Exact Mass 352.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID e6esjX6ae
Name (6R,4'S)-6-(2,2-Dimethyl-1,3-dioxolan-4-yl)-6-undecyl-5,6-dihydropyran-2-one
Alternate Name(s) (R)-6-((S)-2,2-Dimethyl-[1,3]dioxolan-4-yl)-6-heptyl-5,6-dihydro-pyran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O4
InChI InChI=1S/C21H36O4/c1-4-5-6-7-8-9-10-11-12-15-21(16-13-14-19(22)25-21)18-17-23-20(2,3)24-18/h13-14,18H,4-12,15-17H2,1-3H3/t18-,21+/m0/s1
InChIKey DMCMDGNHTCGZCO-GHTZIAJQSA-N
Molecular Weight 352.515 g/mol
SMILES [C@@]1(OC(C=CC1)=O)([C@]1(OC(C)(C)OC1)[H])CCCCCCCCCCC
SPLASH splash10-0udi-0943000000-ea2a464fc47f5a4d69ca
Source of Spectrum F-59-860-15
Wiley ID 1676895