![9-Oxabicyclo[4.4.0]decen-8-one](/api/spectrum/4GirXodDnkp/structure.png?h=300&w=458 "9-Oxabicyclo[4.4.0]decen-8-one")
| SpectraBase Compound ID | JtVtBPrKQra |
|---|---|
| InChI | InChI=1S/C9H12O2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h4,7H,1-3,5-6H2 |
| InChIKey | QOQJLLSPXIGUBB-UHFFFAOYSA-N |
| Mol Weight | 152.19 g/mol |
| Molecular Formula | C9H12O2 |
| Exact Mass | 152.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4GirXodDnkp |
|---|---|
| Name | 9-Oxabicyclo[4.4.0]decen-8-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 152.083729624 u |
| Formula | C9H12O2 |
| InChI | InChI=1S/C9H12O2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h4,7H,1-3,5-6H2 |
| InChIKey | QOQJLLSPXIGUBB-UHFFFAOYSA-N |
| Molecular Weight | 152.193 g/mol |
| SMILES | C12=CCCCC2CC(OC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976664 |