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Spiro[3,5-dioxatricyclo[6.3.0.0E2,7]undecan-6-on-4,2'-cyclohexane], 1'-isopropyl-2,4'-dimethyl-9,11-bis(2-methoxyethyloxymethyloxy)-
SpectraBase Compound ID FhI6oDitqjB
InChI InChI=1S/C16H26O3.2C4H10O3.C3H8/c1-10-5-3-6-11(9-10)19-15(17)14-12-7-4-8-13(12)16(14,2)18;2*1-6-2-3-7-4-5;1-3-2/h10-14,18H,3-9H2,1-2H3;2*5H,2-4H2,1H3;3H2,1-2H3
InChIKey GOUSXEKFSSSXTK-UHFFFAOYSA-N
Mol Weight 522.72 g/mol
Molecular Formula C27H54O9
Exact Mass 522.376783 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6H3UPRRfyqR
Name Spiro[3,5-dioxatricyclo[6.3.0.0E2,7]undecan-6-on-4,2'-cyclohexane], 1'-isopropyl-2,4'-dimethyl-9,11-bis(2-methoxyethyloxymethyloxy)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 522.376783310 u
Formula C27H54O9
InChI InChI=1S/C16H26O3.2C4H10O3.C3H8/c1-10-5-3-6-11(9-10)19-15(17)14-12-7-4-8-13(12)16(14,2)18;2*1-6-2-3-7-4-5;1-3-2/h10-14,18H,3-9H2,1-2H3;2*5H,2-4H2,1H3;3H2,1-2H3
InChIKey GOUSXEKFSSSXTK-UHFFFAOYSA-N
Molecular Weight 522.720 g/mol
Nominal Mass 522 u
SMILES OCOCCOC.OC1(C(C(=O)OC2CCCC(C)C2)C2CCCC12)C.C(C)C.OCOCCOC