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6,15-Dihexyl-2,3,11,12-dibenzo-1,4,7,10,13,16-hexaoxacyclooctadeca-2,11-diene

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6,15-Dihexyl-2,3,11,12-dibenzo-1,4,7,10,13,16-hexaoxacyclooctadeca-2,11-diene
SpectraBase Compound ID KqieDVNZvGA
InChI InChI=1S/C32H48O6/c1-3-5-7-9-15-27-25-37-31-19-13-11-17-29(31)36-24-22-34-28(16-10-8-6-4-2)26-38-32-20-14-12-18-30(32)35-23-21-33-27/h11-14,17-20,27-28H,3-10,15-16,21-26H2,1-2H3
InChIKey MDCYEIUWAOKELA-UHFFFAOYSA-N
Mol Weight 528.7 g/mol
Molecular Formula C32H48O6
Exact Mass 528.345089 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IUyqeowrEEX
Name 6,15-Dihexyl-2,3,11,12-dibenzo-1,4,7,10,13,16-hexaoxacyclooctadeca-2,11-diene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 528.345089260 u
Formula C32H48O6
InChI InChI=1S/C32H48O6/c1-3-5-7-9-15-27-25-37-31-19-13-11-17-29(31)36-24-22-34-28(16-10-8-6-4-2)26-38-32-20-14-12-18-30(32)35-23-21-33-27/h11-14,17-20,27-28H,3-10,15-16,21-26H2,1-2H3
InChIKey MDCYEIUWAOKELA-UHFFFAOYSA-N
Molecular Weight 528.730 g/mol
SMILES C12=C(OCCOC(COC3=C(OCCOC(CO2)CCCCCC)C=CC=C3)CCCCCC)C=CC=C1