![2,7,12-Trioxatetracyclo[6.3.1.0(4,11).,0(5,9)]dodecane](/api/spectrum/BAbJLwMCi0I/structure.png?h=300&w=458 "2,7,12-Trioxatetracyclo[6.3.1.0(4,11).,0(5,9)]dodecane")
| SpectraBase Compound ID | E7OsDVuRsZd |
|---|---|
| InChI | InChI=1S/C9H12O3/c1-4-6-2-10-8(4)12-9-5(1)7(6)3-11-9/h4-9H,1-3H2 |
| InChIKey | DZNVZUNCIIBJCM-UHFFFAOYSA-N |
| Mol Weight | 168.19 g/mol |
| Molecular Formula | C9H12O3 |
| Exact Mass | 168.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BAbJLwMCi0I |
|---|---|
| Name | 2,7,12-Trioxatetracyclo[6.3.1.0(4,11).,0(5,9)]dodecane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.078644243 u |
| Formula | C9H12O3 |
| InChI | InChI=1S/C9H12O3/c1-4-6-2-10-8(4)12-9-5(1)7(6)3-11-9/h4-9H,1-3H2 |
| InChIKey | DZNVZUNCIIBJCM-UHFFFAOYSA-N |
| Molecular Weight | 168.192 g/mol |
| SMILES | C12OC3C4C(C(C2C4)CO1)CO3 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.853797 |