| SpectraBase Spectrum ID |
6tO21mnQ1Gk |
| Name |
5,14[1',2']-Benzenopentacene, 5,6,13,14-tetrahydro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.156500644 u |
| Formula |
C28H20 |
| InChI |
InChI=1S/C28H20/c1-2-8-18-14-20-16-26-25(15-19(20)13-17(18)7-1)27-21-9-3-5-11-23(21)28(26)24-12-6-4-10-22(24)27/h1-14,27-28H,15-16H2/t27-,28+ |
| InChIKey |
BWLMWAFBRLNOGB-HNRBIFIRSA-N |
| Molecular Weight |
356.468 g/mol |
| SMILES |
C12=C([C@]3(C=4C([C@@]2(C2=C3C=CC=C2)[H])=CC=CC4)[H])CC2=C(C1)C=C1C(C=CC=C1)=C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881789 |
![5,14[1',2']-Benzenopentacene, 5,6,13,14-tetrahydro-](/api/spectrum/6tO21mnQ1Gk/structure.png?h=300&w=458 "5,14[1',2']-Benzenopentacene, 5,6,13,14-tetrahydro-")
