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3,3'-(hexacos-13-yne-1,26-diylbis(oxy))dibenzonitrile
SpectraBase Compound ID FD7WU4AWZTT
InChI InChI=1S/C40H56N2O2/c41-35-37-27-25-29-39(33-37)43-31-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-32-44-40-30-26-28-38(34-40)36-42/h25-30,33-34H,3-24,31-32H2
InChIKey HZMYHCPHGBSDJD-UHFFFAOYSA-N
Mol Weight 596.9 g/mol
Molecular Formula C40H56N2O2
Exact Mass 596.434179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G8HaJYXlCFJ
Name 3,3'-(hexacos-13-yne-1,26-diylbis(oxy))dibenzonitrile
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Formula C40H56N2O2
InChI InChI=1S/C40H56N2O2/c41-35-37-27-25-29-39(33-37)43-31-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-32-44-40-30-26-28-38(34-40)36-42/h25-30,33-34H,3-24,31-32H2
InChIKey HZMYHCPHGBSDJD-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 596.900 g/mol
Reported Formula C40H56N2O2
SMILES c1(cccc(c1)OCCCCCCCCCCCCC#CCCCCCCCCCCCCOc1cc(ccc1)C#N)C#N
SPLASH splash10-052b-9206030000-118e31e8574aad58d962
Source of Spectrum DE102010023326A1
Wiley ID 1842887