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(E)-3-(3-Cyclopropyl-1-(4-bromobenzylidene)-1H-inden-2-yl)-1-methyl-1H-indole
SpectraBase Compound ID 5ivszAeF0Jd
InChI InChI=1S/C28H22BrN/c1-30-17-25(22-7-4-5-9-26(22)30)28-24(16-18-10-14-20(29)15-11-18)21-6-2-3-8-23(21)27(28)19-12-13-19/h2-11,14-17,19H,12-13H2,1H3/b24-16+
InChIKey INXVBUXBVXYJRP-LFVJCYFKSA-N
Mol Weight 452.4 g/mol
Molecular Formula C28H22BrN
Exact Mass 451.093563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FzmIoigTgGb
Name (E)-3-(3-Cyclopropyl-1-(4-bromobenzylidene)-1H-inden-2-yl)-1-methyl-1H-indole
Appearance Orange solid
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Exact Mass 451.093562712 u
Formula C28H22BrN
GC Column HP-5MS
InChI InChI=1S/C28H22BrN/c1-30-17-25(22-7-4-5-9-26(22)30)28-24(16-18-10-14-20(29)15-11-18)21-6-2-3-8-23(21)27(28)19-12-13-19/h2-11,14-17,19H,12-13H2,1H3/b24-16+
InChIKey INXVBUXBVXYJRP-LFVJCYFKSA-N
Instrument Name Agilent 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.201502174
Molecular Weight 452.395 g/mol
Reported Formula C28H22NBr
SMILES C1=CC2=C(C=C1)N(C=C2C1=C(C2=C(\C1=C\C1=CC=C(C=C1)Br)C=CC=C2)C1CC1)C
SPLASH splash10-0udi-0020900000-6062dbdb3ccd74a45c28
Source of Spectrum QE-21-SM17-2m (DOI: 10.1002/chem.201502174)
Wiley ID 1909249