| SpectraBase Compound ID | 5eqjD0PI93A |
|---|---|
| InChI | InChI=1S/C18H13N/c19-14-7-10-16-13(11-14)6-9-17-15-4-2-1-3-12(15)5-8-18(16)17/h1-11H,19H2 |
| InChIKey | KSDIHKMNSYWRFB-UHFFFAOYSA-N |
| Mol Weight | 243.31 g/mol |
| Molecular Formula | C18H13N |
| Exact Mass | 243.104799 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5nyJkb7UNGD |
|---|---|
| Name | 2-Chrysenylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.104799423 u |
| Formula | C18H13N |
| InChI | InChI=1S/C18H13N/c19-14-7-10-16-13(11-14)6-9-17-15-4-2-1-3-12(15)5-8-18(16)17/h1-11H,19H2 |
| InChIKey | KSDIHKMNSYWRFB-UHFFFAOYSA-N |
| Molecular Weight | 243.309 g/mol |
| SMILES | NC=1C=CC=2C=3C=CC=4C=CC=CC4C3C=CC2C1 |
| Spectrum/Structure Validation Score (Raman) | 0.874231 |