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Tris-fluorenylene
SpectraBase Compound ID BtKBnBmtqVF
InChI InChI=1S/C39H24/c1-7-19-31-25(13-1)26-14-2-8-20-32(26)37(31)38(33-21-9-3-15-27(33)28-16-4-10-22-34(28)38)39(37)35-23-11-5-17-29(35)30-18-6-12-24-36(30)39/h1-24H
InChIKey KCIHSGMHVASBFK-UHFFFAOYSA-N
Mol Weight 492.6 g/mol
Molecular Formula C39H24
Exact Mass 492.187801 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DpiWpdYx2ad
Name Tris-fluorenylene
Comments Computed using SmartSpectra Model v1.42
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Exact Mass 492.187800773 u
Formula C39H24
InChI InChI=1S/C39H24/c1-7-19-31-25(13-1)26-14-2-8-20-32(26)37(31)38(33-21-9-3-15-27(33)28-16-4-10-22-34(28)38)39(37)35-23-11-5-17-29(35)30-18-6-12-24-36(30)39/h1-24H
InChIKey KCIHSGMHVASBFK-UHFFFAOYSA-N
Molecular Weight 492.621 g/mol
SMILES C1=2C3(C4=CC=CC=C4C2C=CC=C1)C1(C2=CC=CC=C2C=2C1=CC=CC2)C31C2=CC=CC=C2C=2C1=CC=CC2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947842