| SpectraBase Compound ID | 4mqHOgkmZYf |
|---|---|
| InChI | InChI=1S/C9H12O/c10-9-6-5-7-3-1-2-4-8(7)9/h5-8H,1-4H2 |
| InChIKey | PUQNYWRSNUVKMW-UHFFFAOYSA-N |
| Mol Weight | 136.19 g/mol |
| Molecular Formula | C9H12O |
| Exact Mass | 136.088815 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3BsZcrCXukN |
|---|---|
| Name | 3a,4,5,6,7,7a-hexahydroinden-1-one |
| CAS Registry Number | 68326-99-8 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H12O |
| InChI | InChI=1S/C9H12O/c10-9-6-5-7-3-1-2-4-8(7)9/h5-8H,1-4H2 |
| InChIKey | PUQNYWRSNUVKMW-UHFFFAOYSA-N |
| Molecular Weight | 136.194 g/mol |
| SMILES | C=1C(C2CCCCC2C1)=O |
| SPLASH | splash10-0a70-4900000000-36c54884ec537a19b8e8 |
| Source of Spectrum | H-62-864-0 |
| Wiley ID | 1136536 |