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Pamafaf[2,3-(di-t-butyl)tetraphenylacetylene macrocyclo]
SpectraBase Compound ID EHYNUQaQ5BH
InChI InChI=1S/C40H32/c1-39(2,3)37-25-29-15-19-33-11-7-9-13-35(33)21-17-31-24-32(28-38(27-31)40(4,5)6)18-22-36-14-10-8-12-34(36)20-16-30(23-29)26-37/h7-14,23-28H,1-6H3
InChIKey NIYQQBAFRIQLLK-UHFFFAOYSA-N
Mol Weight 512.7 g/mol
Molecular Formula C40H32
Exact Mass 512.250401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3hPs5NgNTU
Name Pamafaf[2,3-(di-t-butyl)tetraphenylacetylene macrocyclo]
Alternate Name(s) 14,29-ditert-butylpentacyclo[25.3.1.1(12,16).0(4,9).0(19,24)]dotriaconta-1(31),4,6,8,12(32),13,15,19,21,23,27,29-dodecaene-2,10,17,25-tetrayne
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Formula C40H32
InChI InChI=1S/C40H32/c1-39(2,3)37-25-29-15-19-33-11-7-9-13-35(33)21-17-31-24-32(28-38(27-31)40(4,5)6)18-22-36-14-10-8-12-34(36)20-16-30(23-29)26-37/h7-14,23-28H,1-6H3
InChIKey NIYQQBAFRIQLLK-UHFFFAOYSA-N
Molecular Weight 512.696 g/mol
SMILES C1#Cc2cc(C(C)(C)C)cc(C#Cc3c(cccc3)C#Cc3cc(C#Cc4c1cccc4)cc(C(C)(C)C)c3)c2
SPLASH splash10-08fr-5010290000-6b2ff493c69bc2caae42
Source of Spectrum C-116-4238-11
Wiley ID 1400940