| SpectraBase Compound ID | Dx46Yuj9nhK |
|---|---|
| InChI | InChI=1S/C7H9NO/c1-8(2)6-4-3-5-7-9/h3,5,7H,1-2H3/b5-3+ |
| InChIKey | LNIQKVKXLYXLAU-HWKANZROSA-N |
| Mol Weight | 123.15 g/mol |
| Molecular Formula | C7H9NO |
| Exact Mass | 123.068414 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3L2Bq0Q3FHC |
|---|---|
| Name | (E)-5-(Dimethylamino)pent-2-en-4-ynal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 123.068413913 u |
| Formula | C7H9NO |
| InChI | InChI=1S/C7H9NO/c1-8(2)6-4-3-5-7-9/h3,5,7H,1-2H3/b5-3+ |
| InChIKey | LNIQKVKXLYXLAU-HWKANZROSA-N |
| Molecular Weight | 123.155 g/mol |
| SMILES | C(#CN(C)C)\C=C\C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.969531 |