| SpectraBase Compound ID | E81yZ5sUPgL |
|---|---|
| InChI | InChI=1S/C7H8O/c1-2-3-7(8)6-4-5-6/h3,6H,1,4-5H2 |
| InChIKey | UDBADWSZZBLYFO-UHFFFAOYSA-N |
| Mol Weight | 108.14 g/mol |
| Molecular Formula | C7H8O |
| Exact Mass | 108.057515 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GvesnAhxl6j |
|---|---|
| Name | 1-Cyclopropylbuta-2,3-dien-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 108.057514877 u |
| Formula | C7H8O |
| InChI | InChI=1S/C7H8O/c1-2-3-7(8)6-4-5-6/h3,6H,1,4-5H2 |
| InChIKey | UDBADWSZZBLYFO-UHFFFAOYSA-N |
| Molecular Weight | 108.140 g/mol |
| SMILES | C1(CC1)C(=O)C=C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.837508 |