| SpectraBase Compound ID | 9OFUyTCeCNS |
|---|---|
| InChI | InChI=1S/C11H13N/c1-3-4-10-12(2)11-8-6-5-7-9-11/h5-9H,10H2,1-2H3 |
| InChIKey | PAZUTJNUHAAXEF-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 | 66ZFuJ44zGY |
|---|---|
| Name | N-(but-2-Ynyl)-N-methylaniline |
| 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/c1-3-4-10-12(2)11-8-6-5-7-9-11/h5-9H,10H2,1-2H3 |
| InChIKey | PAZUTJNUHAAXEF-UHFFFAOYSA-N |
| Molecular Weight | 159.232 g/mol |
| SMILES | C=1C=CC=C(N(C)CC#CC)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.812449 |