| SpectraBase Compound ID | 6mKTO4bXrwN |
|---|---|
| InChI | InChI=1S/C7H10O/c1-2-3-4-5-6-7-8/h7H,2-4H2,1H3 |
| InChIKey | XWZLMLGAYCVWAU-UHFFFAOYSA-N |
| Mol Weight | 110.16 g/mol |
| Molecular Formula | C7H10O |
| Exact Mass | 110.073165 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CN4wtdabhYt |
|---|---|
| Name | Hept-2-yn-1-al |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 110.073164941 u |
| Formula | C7H10O |
| InChI | InChI=1S/C7H10O/c1-2-3-4-5-6-7-8/h7H,2-4H2,1H3 |
| InChIKey | XWZLMLGAYCVWAU-UHFFFAOYSA-N |
| Molecular Weight | 110.156 g/mol |
| SMILES | C(C=O)#CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.848689 |