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6-(t-Butyl)-4,8-bis[2'-phenylethenyl]-azulene
SpectraBase Compound ID FLWP7N7bjDp
InChI InChI=1S/C30H28/c1-30(2,3)27-21-25(19-17-23-11-6-4-7-12-23)28-15-10-16-29(28)26(22-27)20-18-24-13-8-5-9-14-24/h4-22H,1-3H3/b19-17+,20-18+
InChIKey KXNCIDAEWGAXJX-XPWSMXQVSA-N
Mol Weight 388.55 g/mol
Molecular Formula C30H28
Exact Mass 388.219101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 98x2NmZMb5s
Name 6-(t-Butyl)-4,8-bis[2'-phenylethenyl]-azulene
Alternate Name(s) 6-tert-butyl-4,8-bis[(E)-2-phenylethenyl]azulene
Comments Less than 3 mono-isotopic peaks
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Formula C30H28
InChI InChI=1S/C30H28/c1-30(2,3)27-21-25(19-17-23-11-6-4-7-12-23)28-15-10-16-29(28)26(22-27)20-18-24-13-8-5-9-14-24/h4-22H,1-3H3/b19-17+,20-18+
InChIKey KXNCIDAEWGAXJX-XPWSMXQVSA-N
Molecular Weight 388.554 g/mol
SMILES c12c(c(cc(cc2\C=C\c2ccccc2)C(C)(C)C)\C=C\c2ccccc2)ccc1
SPLASH splash10-0002-0009000000-e3c8e4abfdea05430bc0
Source of Spectrum H-82-313-7
Wiley ID 815367