| SpectraBase Compound ID | 8U5OnOArCcn |
|---|---|
| InChI | InChI=1S/C9H12O3/c10-7-3-6-8-4-1-2-5-9(8,11-7)12-8/h1-6H2 |
| InChIKey | UZBISHMYROEKEJ-UHFFFAOYSA-N |
| Mol Weight | 168.19 g/mol |
| Molecular Formula | C9H12O3 |
| Exact Mass | 168.078644 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CKHt8n0ZaBM |
|---|---|
| Name | 2,11-Dioxatricyclo[4.4.1.0(1,6)]undecan-3-one |
| CAS Registry Number | 126091-84-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H12O3 |
| InChI | InChI=1S/C9H12O3/c10-7-3-6-8-4-1-2-5-9(8,11-7)12-8/h1-6H2 |
| InChIKey | UZBISHMYROEKEJ-UHFFFAOYSA-N |
| Molecular Weight | 168.192 g/mol |
| SMILES | C123C(CCC(O3)=O)(CCCC1)O2 |
| SPLASH | splash10-03fr-9500000000-07c023b07d3fa1a9afb3 |
| Source of Spectrum | K-124-2367-2 |
| Wiley ID | 1164395 |