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Dimethyl 11,16-dimethoxyundecacyclo[9.9.0.0(2,9).0(3,7).0(4,20).0(5,18).0(6,16).0(8,15).0(10,14).0(12,19).0(13,17)]icosane-1,6-dicarboxylate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Dimethyl 11,16-dimethoxyundecacyclo[9.9.0.0(2,9).0(3,7).0(4,20).0(5,18).0(6,16).0(8,15).0(10,14).0(12,19).0(13,17)]icosane-1,6-dicarboxylate
SpectraBase Compound ID AD7jfssfcox
InChI InChI=1S/C26H28O6/c1-29-21(27)23-13-5-6-14(23)8-10-16(6)24(22(28)30-2)15(5)9-7(13)17-11-12(18(8)25(17,23)31-3)20(10)26(24,32-4)19(9)11/h5-20H,1-4H3
InChIKey ZRYGHRPFGMGEPA-UHFFFAOYSA-N
Mol Weight 436.5 g/mol
Molecular Formula C26H28O6
Exact Mass 436.188589 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3fYf5r5ot1g
Name Dimethyl 11,16-dimethoxyundecacyclo[9.9.0.0(2,9).0(3,7).0.(4,20).0(5,18).0(6,16).0(8,15).0(10,14).0(12,19).0(13,17)]icosane-1,6-dicarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.188588616 u
Formula C26H28O6
InChI InChI=1S/C26H28O6/c1-29-21(27)23-13-5-6-14(23)8-10-16(6)24(22(28)30-2)15(5)9-7(13)17-11-12(18(8)25(17,23)31-3)20(10)26(24,32-4)19(9)11/h5-20H,1-4H3
InChIKey ZRYGHRPFGMGEPA-UHFFFAOYSA-N
Molecular Weight 436.504 g/mol
SMILES C12(C3(C4C5C6C7C4C2C2C7C4(C7C2C1C1C7C(C64OC)C5C31)C(=O)OC)OC)C(=O)OC