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3,18-Di-tert-butyl-2,2,19,19-tetramethylicosa-3,5,7,13,15,17-hexaene-9,11-diyn
SpectraBase Compound ID IptBye78WIo
InChI InChI=1S/C32H46/c1-29(2,3)27(30(4,5)6)25-23-21-19-17-15-13-14-16-18-20-22-24-26-28(31(7,8)9)32(10,11)12/h17-26H,1-12H3/b19-17+,20-18+,23-21+,24-22+
InChIKey NYDDKQAWRYWELK-RAHHSKRVSA-N
Mol Weight 430.7 g/mol
Molecular Formula C32H46
Exact Mass 430.359951 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4SGapzFQRM
Name 3,18-Di-tert-butyl-2,2,19,19-tetramethylicosa-3,5,7,13,15,17-hexaene-9,11-diyn
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Formula C32H46
InChI InChI=1S/C32H46/c1-29(2,3)27(30(4,5)6)25-23-21-19-17-15-13-14-16-18-20-22-24-26-28(31(7,8)9)32(10,11)12/h17-26H,1-12H3/b19-17+,20-18+,23-21+,24-22+
InChIKey NYDDKQAWRYWELK-RAHHSKRVSA-N
Molecular Weight 430.720 g/mol
SMILES C(C(C)(C)C)(C(C)(C)C)=C\C=C\C=C\C#CC#C\C=C\C=C\C=C(C(C)(C)C)C(C)(C)C
SPLASH splash10-053r-8131900000-e5ad5dca7264de823bf7
Source of Spectrum U1-2010-4043-24
Wiley ID 1664072