| SpectraBase Compound ID | 2L2oELlaY4S |
|---|---|
| InChI | InChI=1S/C22H16/c1-2-6-16-10-20-14-22-12-18-8-4-3-7-17(18)11-21(22)13-19(20)9-15(16)5-1/h1-12H,13-14H2 |
| InChIKey | SNZIMMWYSCVVFG-UHFFFAOYSA-N |
| Mol Weight | 280.37 g/mol |
| Molecular Formula | C22H16 |
| Exact Mass | 280.125201 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DDGKTxtiKfE |
|---|---|
| Name | Pentacene, 6,13-dihydro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.125200515 u |
| Formula | C22H16 |
| InChI | InChI=1S/C22H16/c1-2-6-16-10-20-14-22-12-18-8-4-3-7-17(18)11-21(22)13-19(20)9-15(16)5-1/h1-12H,13-14H2 |
| InChIKey | SNZIMMWYSCVVFG-UHFFFAOYSA-N |
| SMILES | C1=CC=CC2=C1C=C1CC3=CC4=CC=CC=C4C=C3CC1=C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.90495 |