![1-Methyl-7-oxabicyclo[4.2.1]nonane-4,8-dione](/api/spectrum/w9OEMlqLE8/structure.png?h=300&w=458 "1-Methyl-7-oxabicyclo[4.2.1]nonane-4,8-dione")
| SpectraBase Compound ID | ACLSxvY8rmC |
|---|---|
| InChI | InChI=1S/C9H12O3/c1-9-3-2-6(10)4-7(5-9)12-8(9)11/h7H,2-5H2,1H3 |
| InChIKey | PTGXXVYIWCKESF-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 | w9OEMlqLE8 |
|---|---|
| Name | 1-Methyl-7-oxabicyclo[4.2.1]nonane-4,8-dione |
| CAS Registry Number | 80721-94-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H12O3 |
| InChI | InChI=1S/C9H12O3/c1-9-3-2-6(10)4-7(5-9)12-8(9)11/h7H,2-5H2,1H3 |
| InChIKey | PTGXXVYIWCKESF-UHFFFAOYSA-N |
| Molecular Weight | 168.192 g/mol |
| SMILES | C1(C2(CC(O1)CC(=O)CC2)C)=O |
| SPLASH | splash10-00lr-9300000000-d2726c9534b8b44e4fb1 |
| Source of Spectrum | J-47-1389-0 |
| Wiley ID | 1164338 |