| SpectraBase Compound ID | LF9ljzVGCZM |
|---|---|
| InChI | InChI=1S/C9H12O3/c1-12-9(11)6-7-3-2-4-8(10)5-7/h3H,2,4-6H2,1H3 |
| InChIKey | QDVBUDZRLSLLGQ-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 | 6QU8KhexMM5 |
|---|---|
| Name | Methyl 2-(5-Oxocyclohex-1-enyl)acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H12O3 |
| InChI | InChI=1S/C9H12O3/c1-12-9(11)6-7-3-2-4-8(10)5-7/h3H,2,4-6H2,1H3 |
| InChIKey | QDVBUDZRLSLLGQ-UHFFFAOYSA-N |
| Molecular Weight | 168.192 g/mol |
| SMILES | C1(=CCCC(C1)=O)CC(=O)OC |
| SPLASH | splash10-05r0-5900000000-f0e1b47bd3964a69f44c |
| Source of Spectrum | F4-44-1300-8h |
| Wiley ID | 1707111 |