| SpectraBase Compound ID | ks3GnIZ1is |
|---|---|
| InChI | InChI=1S/C11H12O2/c1-8(12)10-4-3-5-11(7-6-10)9(2)13/h3-6H,7H2,1-2H3 |
| InChIKey | OEGHJTCZUBLAGI-UHFFFAOYSA-N |
| Mol Weight | 176.21 g/mol |
| Molecular Formula | C11H12O2 |
| Exact Mass | 176.08373 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Lu8nzlCdH5c |
|---|---|
| Name | 1,5-Diacetyl-1,3,5-cycloheptatriene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H12O2 |
| InChI | InChI=1S/C11H12O2/c1-8(12)10-4-3-5-11(7-6-10)9(2)13/h3-6H,7H2,1-2H3 |
| InChIKey | OEGHJTCZUBLAGI-UHFFFAOYSA-N |
| Molecular Weight | 176.215 g/mol |
| SMILES | C1(=CCC(C(=O)C)=CC=C1)C(=O)C |
| SPLASH | splash10-004i-2900000000-1460c4e5f347fad601d0 |
| Source of Spectrum | F-59-2840-17 |
| Wiley ID | 1677670 |