![7-Oxatricyclo[6.4.1.0(5,13)]tridecatriene](/api/spectrum/AxnwdAIGqez/structure.png?h=300&w=458 "7-Oxatricyclo[6.4.1.0(5,13)]tridecatriene")
| SpectraBase Compound ID | 9Ikbn6fkmkk |
|---|---|
| InChI | InChI=1S/C12H14O/c1-2-7-11-12-9(4-1)5-3-6-10(12)8-13-11/h3,5-6,11H,1-2,4,7-8H2 |
| InChIKey | OSPUCLXJJMPLJQ-UHFFFAOYSA-N |
| Mol Weight | 174.24 g/mol |
| Molecular Formula | C12H14O |
| Exact Mass | 174.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AxnwdAIGqez |
|---|---|
| Name | 7-Oxatricyclo[6.4.1.0(5,13)]tridecatriene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.104465070 u |
| Formula | C12H14O |
| InChI | InChI=1S/C12H14O/c1-2-7-11-12-9(4-1)5-3-6-10(12)8-13-11/h3,5-6,11H,1-2,4,7-8H2 |
| InChIKey | OSPUCLXJJMPLJQ-UHFFFAOYSA-N |
| Molecular Weight | 174.243 g/mol |
| SMILES | C12OCC=3C=CC=C(C23)CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945424 |