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5-Methyl-bis(1',3'-phenylene)-32-(crown-10)
SpectraBase Compound ID 4is7sfZBycT
InChI InChI=1S/C29H42O10/c1-25-21-28-24-29(22-25)39-20-16-35-12-8-31-6-10-33-14-18-37-27-4-2-3-26(23-27)36-17-13-32-9-5-30-7-11-34-15-19-38-28/h2-4,21-24H,5-20H2,1H3
InChIKey YHAQWGRLUFLMGH-UHFFFAOYSA-N
Mol Weight 550.6 g/mol
Molecular Formula C29H42O10
Exact Mass 550.277798 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D18D9FPavpV
Name 5-Methyl-bis(1',3'-phenylene)-32-(crown-10)
Alternate Name(s) 17-methyl-2,5,8,11,14,20,23,26,29,32-decaoxatricyclo[31.3.1.1(15,19)]octatriaconta-1(37),15(38),16,18,33,35-hexaene
Comments Less than 3 mono-isotopic peaks
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Formula C29H42O10
InChI InChI=1S/C29H42O10/c1-25-21-28-24-29(22-25)39-20-16-35-12-8-31-6-10-33-14-18-37-27-4-2-3-26(23-27)36-17-13-32-9-5-30-7-11-34-15-19-38-28/h2-4,21-24H,5-20H2,1H3
InChIKey YHAQWGRLUFLMGH-UHFFFAOYSA-N
Molecular Weight 550.645 g/mol
SMILES c12cc(OCCOCCOCCOCCOc3cc(OCCOCCOCCOCCO2)ccc3)cc(c1)C
SPLASH splash10-001i-0090010000-bdb5626b8e5180109e5e
Source of Spectrum OP-23-385-9
Wiley ID 850324