SpectraBase Spectrum ID |
8svg5xRgZJ8 |
Name |
Dispiro[2.1.2.1]octane, 1,1,6,6-tetraphenyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
412.219100902 u |
Formula |
C32H28 |
InChI |
InChI=1S/C32H28/c1-5-13-25(14-6-1)31(26-15-7-2-8-16-26)23-29(31)21-30(22-29)24-32(30,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20H,21-24H2 |
InChIKey |
WGJAGJWHDOKUEO-UHFFFAOYSA-N |
Molecular Weight |
412.576 g/mol |
SMILES |
C1=CC=CC(=C1)C1(C=2C=CC=CC2)C2(CC3(C2)CC3(C2=CC=CC=C2)C2=CC=CC=C2)C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969273 |