| SpectraBase Compound ID | JakKrdAuOoh |
|---|---|
| InChI | InChI=1S/C6H9N3O/c1-2-3-4-5-8-9-6(7)10/h5H,2H2,1H3,(H3,7,9,10)/b8-5+ |
| InChIKey | QZRLUYPGHPOAPW-VMPITWQZSA-N |
| Mol Weight | 139.16 g/mol |
| Molecular Formula | C6H9N3O |
| Exact Mass | 139.074562 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EPOJDnY6lbA |
|---|---|
| Name | 2-Pentynal semicarbazone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 139.074561921 u |
| Formula | C6H9N3O |
| InChI | InChI=1S/C6H9N3O/c1-2-3-4-5-8-9-6(7)10/h5H,2H2,1H3,(H3,7,9,10)/b8-5+ |
| InChIKey | QZRLUYPGHPOAPW-VMPITWQZSA-N |
| SMILES | CCC#C\C=N\NC(N)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.873409 |