| SpectraBase Spectrum ID |
KYgPesMfdZz |
| Name |
Benzene, 1,1',1'',1''',1'''',1'''''-(1,3-butadiene-2,3-diyl-1,4-diylidene)hexakis- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
510.234750966 u |
| Formula |
C40H30 |
| InChI |
InChI=1S/C40H30/c1-7-19-31(20-8-1)37(32-21-9-2-10-22-32)39(35-27-15-5-16-28-35)40(36-29-17-6-18-30-36)38(33-23-11-3-12-24-33)34-25-13-4-14-26-34/h1-30H |
| InChIKey |
GXFNMSQBHWFLIB-UHFFFAOYSA-N |
| Molecular Weight |
510.680 g/mol |
| SMILES |
C=1(C=CC=CC1)C(=C(C(C1=CC=CC=C1)=C(C1=CC=CC=C1)C=1C=CC=CC1)C1=CC=CC=C1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959004 |
