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 |