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2,2-Bis[1,1-diindanylidene]
SpectraBase Compound ID L0tDPdXCtC2
InChI InChI=1S/C36H30/c1-5-13-27-23(9-1)17-19-31(27)35-29-15-7-3-11-25(29)21-33(35)34-22-26-12-4-8-16-30(26)36(34)32-20-18-24-10-2-6-14-28(24)32/h1-16,33-34H,17-22H2/b35-31-,36-32+
InChIKey YICSDCBEPUSLCF-KDJHSEOYSA-N
Mol Weight 462.6 g/mol
Molecular Formula C36H30
Exact Mass 462.234751 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8zXNxIcB2Gb
Name 2,2-bis[1,1-Diindanylidene]
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 462.234750966 u
Formula C36H30
InChI InChI=1S/C36H30/c1-5-13-27-23(9-1)17-19-31(27)35-29-15-7-3-11-25(29)21-33(35)34-22-26-12-4-8-16-30(26)36(34)32-20-18-24-10-2-6-14-28(24)32/h1-16,33-34H,17-22H2/b35-31-,36-32+
InChIKey YICSDCBEPUSLCF-KDJHSEOYSA-N
Molecular Weight 462.636 g/mol
SMILES C=12\C(=C\3C(C4\C(=C/5C6=C(C=CC=C6)CC5)C=5C=CC=CC5C4)CC4=C3C=CC=C4)CCC1C=CC=C2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.900078