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

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6,15-Dibutyl-2,3,11,12-dibenzo-1,4,7,10,13,16-hexaoxacyclooctadeca-2,11-diene
SpectraBase Compound ID 2XkHBKm9cWr
InChI InChI=1S/C28H40O6/c1-3-5-11-23-21-33-27-15-9-7-13-25(27)32-20-18-30-24(12-6-4-2)22-34-28-16-10-8-14-26(28)31-19-17-29-23/h7-10,13-16,23-24H,3-6,11-12,17-22H2,1-2H3
InChIKey BMNJQVCSCIWLMV-UHFFFAOYSA-N
Mol Weight 472.6 g/mol
Molecular Formula C28H40O6
Exact Mass 472.282489 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3qs8RYHZ0Yx
Name 6,15-Dibutyl-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 472.282489002 u
Formula C28H40O6
InChI InChI=1S/C28H40O6/c1-3-5-11-23-21-33-27-15-9-7-13-25(27)32-20-18-30-24(12-6-4-2)22-34-28-16-10-8-14-26(28)31-19-17-29-23/h7-10,13-16,23-24H,3-6,11-12,17-22H2,1-2H3
InChIKey BMNJQVCSCIWLMV-UHFFFAOYSA-N
Molecular Weight 472.622 g/mol
SMILES C12=C(OCCOC(COC3=C(OCCOC(CO2)CCCC)C=CC=C3)CCCC)C=CC=C1