![13-Oxabicyclo[8.2.1]tridec-1(12)-en-11-one](/api/spectrum/AfFsBpsBT1w/structure.png?h=300&w=458 "13-Oxabicyclo[8.2.1]tridec-1(12)-en-11-one")
| SpectraBase Compound ID | Ktc5PvAgGg0 |
|---|---|
| InChI | InChI=1S/C12H18O2/c13-11-9-10-7-5-3-1-2-4-6-8-12(11)14-10/h9,12H,1-8H2 |
| InChIKey | DCZPAXRPFGLPGP-UHFFFAOYSA-N |
| Mol Weight | 194.27 g/mol |
| Molecular Formula | C12H18O2 |
| Exact Mass | 194.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AfFsBpsBT1w |
|---|---|
| Name | 13-Oxabicyclo[8.2.1]tridec-1(12)-en-11-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.130679818 u |
| Formula | C12H18O2 |
| InChI | InChI=1S/C12H18O2/c13-11-9-10-7-5-3-1-2-4-6-8-12(11)14-10/h9,12H,1-8H2 |
| InChIKey | DCZPAXRPFGLPGP-UHFFFAOYSA-N |
| Molecular Weight | 194.274 g/mol |
| SMILES | C=1C(C2CCCCCCCCC1O2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.914759 |