| SpectraBase Compound ID | QVySXOhuBB |
|---|---|
| InChI | InChI=1S/C10H16O2/c1-8(11)6-9-4-2-3-5-10(12)7-9/h9H,2-7H2,1H3 |
| InChIKey | BOELKTAUJTUZPI-UHFFFAOYSA-N |
| Mol Weight | 168.24 g/mol |
| Molecular Formula | C10H16O2 |
| Exact Mass | 168.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 68bZ7CdkZuC |
|---|---|
| Name | 3-Acetonylcycloheptanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.115029753 u |
| Formula | C10H16O2 |
| InChI | InChI=1S/C10H16O2/c1-8(11)6-9-4-2-3-5-10(12)7-9/h9H,2-7H2,1H3 |
| InChIKey | BOELKTAUJTUZPI-UHFFFAOYSA-N |
| Molecular Weight | 168.236 g/mol |
| SMILES | C1(CC(CCCC1)CC(C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968597 |