| SpectraBase Compound ID | 9ehsulrTD6O |
|---|---|
| InChI | InChI=1S/C14H16BrNO/c1-14(2,3)13(17)16-9-5-7-11-6-4-8-12(15)10-11/h4,6,8,10H,9H2,1-3H3,(H,16,17) |
| InChIKey | OGDCOQXRRSEHOQ-UHFFFAOYSA-N |
| Mol Weight | 294.19 g/mol |
| Molecular Formula | C14H16BrNO |
| Exact Mass | 293.041527 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FWJ9J0HgAKk |
|---|---|
| Name | N-(3-(3-Bromophenyl)prop-2-ynyl)pivalamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.041527138 u |
| Formula | C14H16BrNO |
| InChI | InChI=1S/C14H16BrNO/c1-14(2,3)13(17)16-9-5-7-11-6-4-8-12(15)10-11/h4,6,8,10H,9H2,1-3H3,(H,16,17) |
| InChIKey | OGDCOQXRRSEHOQ-UHFFFAOYSA-N |
| SMILES | C(C(C)(C)C)(=O)NCC#CC=1C=C(C=CC1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.944299 |