| SpectraBase Compound ID | C4DMhaqZGj3 |
|---|---|
| InChI | InChI=1S/C16H11N/c17-14-8-12-6-4-10-2-1-3-11-5-7-13(9-14)16(12)15(10)11/h1-9H,17H2 |
| InChIKey | MFUFBSLEAGDECJ-UHFFFAOYSA-N |
| Mol Weight | 217.27 g/mol |
| Molecular Formula | C16H11N |
| Exact Mass | 217.089149 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Bt9PHdCAcyI |
|---|---|
| Name | 2-Pyrenamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.089149358 u |
| Formula | C16H11N |
| InChI | InChI=1S/C16H11N/c17-14-8-12-6-4-10-2-1-3-11-5-7-13(9-14)16(12)15(10)11/h1-9H,17H2 |
| InChIKey | MFUFBSLEAGDECJ-UHFFFAOYSA-N |
| Molecular Weight | 217.271 g/mol |
| SMILES | C12=CC=C3C4=C2C(C=CC4=CC(=C3)N)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94344 |