| SpectraBase Compound ID | EirKmE6MW9Q |
|---|---|
| InChI | InChI=1S/C9H16O/c1-2-3-4-8-5-6-9(10)7-8/h8H,2-7H2,1H3 |
| InChIKey | OZACSKDSZFGTAY-UHFFFAOYSA-N |
| Mol Weight | 140.23 g/mol |
| Molecular Formula | C9H16O |
| Exact Mass | 140.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BMcEE21Z15D |
|---|---|
| Name | Cyclopentanone, 3-butyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.120115134 u |
| Formula | C9H16O |
| InChI | InChI=1S/C9H16O/c1-2-3-4-8-5-6-9(10)7-8/h8H,2-7H2,1H3 |
| InChIKey | OZACSKDSZFGTAY-UHFFFAOYSA-N |
| Molecular Weight | 140.226 g/mol |
| SMILES | C1(=O)CCC(C1)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.883951 |