| SpectraBase Spectrum ID |
RdT3IiD4EX |
| Name |
Pentacene, 6,13-dihydro-6,13-diphenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
432.187800773 u |
| Formula |
C34H24 |
| InChI |
InChI=1S/C34H24/c1-3-11-23(12-4-1)33-29-19-25-15-7-9-17-27(25)21-31(29)34(24-13-5-2-6-14-24)32-22-28-18-10-8-16-26(28)20-30(32)33/h1-22,33-34H |
| InChIKey |
VUSIHTZFAGGYGZ-UHFFFAOYSA-N |
| Molecular Weight |
432.566 g/mol |
| SMILES |
C1=CC=C(C=C1)C1C2=CC=3C=CC=CC3C=C2C(C2=CC=CC=C2)C2=CC=3C=CC=CC3C=C12 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93887 |
