| SpectraBase Compound ID | 9ahvS7Hgh3D |
|---|---|
| InChI | InChI=1S/C15H13N/c1-3-8-14(9-4-1)10-7-13-16-15-11-5-2-6-12-15/h1-6,8-9,11-12,16H,13H2 |
| InChIKey | JRTPBTUTTLIBEZ-UHFFFAOYSA-N |
| Mol Weight | 207.28 g/mol |
| Molecular Formula | C15H13N |
| Exact Mass | 207.104799 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Fqy7CfdZuYj |
|---|---|
| Name | N-(3-Phenyl-2-propynyl)aniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.104799423 u |
| Formula | C15H13N |
| InChI | InChI=1S/C15H13N/c1-3-8-14(9-4-1)10-7-13-16-15-11-5-2-6-12-15/h1-6,8-9,11-12,16H,13H2 |
| InChIKey | JRTPBTUTTLIBEZ-UHFFFAOYSA-N |
| Molecular Weight | 207.276 g/mol |
| SMILES | C=1(NCC#CC=2C=CC=CC2)C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971076 |