| SpectraBase Compound ID | DUCc0CSVTuy |
|---|---|
| InChI | InChI=1S/C11H13N/c1-2-3-9-12-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1H3 |
| InChIKey | BHHGWNJOOFCIGJ-UHFFFAOYSA-N |
| Mol Weight | 159.23 g/mol |
| Molecular Formula | C11H13N |
| Exact Mass | 159.104799 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GXSsN5022c1 |
|---|---|
| Name | N-(but-2-Ynyl)-benzenemethanamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 159.104799423 u |
| Formula | C11H13N |
| InChI | InChI=1S/C11H13N/c1-2-3-9-12-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1H3 |
| InChIKey | BHHGWNJOOFCIGJ-UHFFFAOYSA-N |
| Molecular Weight | 159.232 g/mol |
| SMILES | C(NCC1=CC=CC=C1)C#CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.930103 |