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4,11-Dihexyl-16,16-dimethyl-1,14-dioxa-4,11-diazacycloheptadecane-3,12-dione

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4,11-Dihexyl-16,16-dimethyl-1,14-dioxa-4,11-diazacycloheptadecane-3,12-dione
SpectraBase Compound ID 4JffWKc29K6
InChI InChI=1S/C27H52N2O4/c1-5-7-9-13-17-28-19-15-11-12-16-20-29(18-14-10-8-6-2)26(31)22-33-24-27(3,4)23-32-21-25(28)30/h5-24H2,1-4H3
InChIKey OOPTYXWDROXJJA-UHFFFAOYSA-N
Mol Weight 468.7 g/mol
Molecular Formula C27H52N2O4
Exact Mass 468.392708 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4cLRxU2kWmT
Name 4,11-Dihexyl-16,16-dimethyl-1,14-dioxa-4,11-diazacycloheptadecane-3,12-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 468.392708158 u
Formula C27H52N2O4
InChI InChI=1S/C27H52N2O4/c1-5-7-9-13-17-28-19-15-11-12-16-20-29(18-14-10-8-6-2)26(31)22-33-24-27(3,4)23-32-21-25(28)30/h5-24H2,1-4H3
InChIKey OOPTYXWDROXJJA-UHFFFAOYSA-N
Molecular Weight 468.723 g/mol
SMILES C(CN1CCCCCCN(C(COCC(COCC1=O)(C)C)=O)CCCCCC)CCCC