| SpectraBase Compound ID | BjM5MJDufFL |
|---|---|
| InChI | InChI=1S/C9H13N3O/c1-4-5-11-9(13)8(6-10)7-12(2)3/h4,7H,1,5H2,2-3H3,(H,11,13) |
| InChIKey | FLTWGDTUGUKNMQ-UHFFFAOYSA-N |
| Mol Weight | 179.22 g/mol |
| Molecular Formula | C9H13N3O |
| Exact Mass | 179.105862 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Ja8rnYaqAvm |
|---|---|
| Name | N-Allyl-2-cyano-3-(dimethylamino)acrylamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.105862050 u |
| Formula | C9H13N3O |
| InChI | InChI=1S/C9H13N3O/c1-4-5-11-9(13)8(6-10)7-12(2)3/h4,7H,1,5H2,2-3H3,(H,11,13) |
| InChIKey | FLTWGDTUGUKNMQ-UHFFFAOYSA-N |
| Molecular Weight | 179.223 g/mol |
| SMILES | N(C(C(=CN(C)C)C#N)=O)CC=C |
| Spectrum/Structure Validation Score (Raman) | 0.990766 |