![2-[(E)-prop-1-enyl]-1-cyclobutanone](/api/spectrum/4D04FtRelyx/structure.png?h=300&w=458 "2-[(E)-prop-1-enyl]-1-cyclobutanone")
| SpectraBase Compound ID | B2L7Y10D6l5 |
|---|---|
| InChI | InChI=1S/C7H10O/c1-2-3-6-4-5-7(6)8/h2-3,6H,4-5H2,1H3/b3-2+ |
| InChIKey | XCKPQVJBFYAXEQ-NSCUHMNNSA-N |
| Mol Weight | 110.16 g/mol |
| Molecular Formula | C7H10O |
| Exact Mass | 110.073165 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4D04FtRelyx |
|---|---|
| Name | 2-[(E)-Prop-1-enyl]-1-cyclobutanone |
| 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/c1-2-3-6-4-5-7(6)8/h2-3,6H,4-5H2,1H3/b3-2+ |
| InChIKey | XCKPQVJBFYAXEQ-NSCUHMNNSA-N |
| Molecular Weight | 110.156 g/mol |
| SMILES | C1(C(\C=C\C)CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.913684 |