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1,6-Diphenyl-3-(2,4,6-tri-tert-butylphenyl)-3-phospha-5-hexen-1-yn
SpectraBase Compound ID C28dn9h3If1
InChI InChI=1S/C35H43P/c1-33(2,3)29-25-30(34(4,5)6)32(31(26-29)35(7,8)9)36(24-22-28-19-14-11-15-20-28)23-16-21-27-17-12-10-13-18-27/h10-21,25-26H,23H2,1-9H3/b21-16+
InChIKey ZPXFXRMBUBAADZ-LTGZKZEYSA-N
Mol Weight 494.7 g/mol
Molecular Formula C35H43P
Exact Mass 494.310238 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ta43zSxAFs
Name 1,6-Diphenyl-3-(2,4,6-tri-tert-butylphenyl)-3-phospha-5-hexen-1-yn
Alternate Name(s) (phenylethynyl)[(2E)-3-phenyl-2-propenyl](2,4,6-tritert-butylphenyl)phosphine 1,6-Diphenyl-3-(2,4,6-tri-tert-butylphenyl)-3-phospha-5-hexen-1-in
CAS Registry Number 111291-71-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H43P
InChI InChI=1S/C35H43P/c1-33(2,3)29-25-30(34(4,5)6)32(31(26-29)35(7,8)9)36(24-22-28-19-14-11-15-20-28)23-16-21-27-17-12-10-13-18-27/h10-21,25-26H,23H2,1-9H3/b21-16+
InChIKey ZPXFXRMBUBAADZ-LTGZKZEYSA-N
Molecular Weight 494.703 g/mol
SMILES c1(c(c(C(C)(C)C)cc(c1)C(C)(C)C)P(C#Cc1ccccc1)C\C=C\c1ccccc1)C(C)(C)C
SPLASH splash10-004i-1309000000-a9b2c7057ff1ed3e94df
Source of Spectrum K-121-635-9
Wiley ID 1398025