| SpectraBase Spectrum ID |
JTOb9i0uhwP |
| Name |
Pentacene, 6,13-dihydro-6,13-bis(methylene)-5,7,12,14-tetraphenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
608.250401030 u |
| Formula |
C48H32 |
| InChI |
InChI=1S/C48H32/c1-31-41-43(47(35-23-11-5-12-24-35)39-29-17-15-27-37(39)45(41)33-19-7-3-8-20-33)32(2)44-42(31)46(34-21-9-4-10-22-34)38-28-16-18-30-40(38)48(44)36-25-13-6-14-26-36/h3-30H,1-2H2 |
| InChIKey |
QWQUWJWLMKRLFP-UHFFFAOYSA-N |
| Molecular Weight |
608.784 g/mol |
| SMILES |
C1(C=2C(=C(C=3C=CC=CC3)C=3C(C2C=2C=CC=CC2)=CC=CC3)C(C2=C1C(=C1C(C=CC=C1)=C2C=1C=CC=CC1)C1=CC=CC=C1)=C)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956016 |
