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4,5-Bis(3',4'-dihexyloxyphenyl)benzo[15]crown-5
SpectraBase Compound ID 65uVaevzgua
InChI InChI=1S/C50H76O9/c1-5-9-13-17-25-54-45-23-21-41(37-47(45)56-27-19-15-11-7-3)43-39-49-50(59-36-34-53-32-30-51-29-31-52-33-35-58-49)40-44(43)42-22-24-46(55-26-18-14-10-6-2)48(38-42)57-28-20-16-12-8-4/h21-24,37-40H,5-20,25-36H2,1-4H3
InChIKey SGTVPTGEQSRCDH-UHFFFAOYSA-N
Mol Weight 821.1 g/mol
Molecular Formula C50H76O9
Exact Mass 820.548934 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9i7gtlvsYSs
Name 4,5-Bis(3',4'-dihexyloxyphenyl)benzo[15]crown-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C50H76O9
InChI InChI=1S/C50H76O9/c1-5-9-13-17-25-54-45-23-21-41(37-47(45)56-27-19-15-11-7-3)43-39-49-50(59-36-34-53-32-30-51-29-31-52-33-35-58-49)40-44(43)42-22-24-46(55-26-18-14-10-6-2)48(38-42)57-28-20-16-12-8-4/h21-24,37-40H,5-20,25-36H2,1-4H3
InChIKey SGTVPTGEQSRCDH-UHFFFAOYSA-N
Molecular Weight 821.149 g/mol
SMILES c1(c(cc2c(c1)OCCOCCOCCOCCO2)-c1cc(OCCCCCC)c(cc1)OCCCCCC)-c1cc(OCCCCCC)c(cc1)OCCCCCC
SPLASH splash10-00di-0000000090-6aac98b2386da2ee6705
Source of Spectrum QE-20-1032-5
Synonyms 15,16-bis[3,4-bis(hexyloxy)phenyl]-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine
Wiley ID 1586612