| SpectraBase Compound ID | KjeZUUsC38y |
|---|---|
| InChI | InChI=1S/C9H12O3/c1-12-9(11)6-7-3-2-4-8(10)5-7/h5H,2-4,6H2,1H3 |
| InChIKey | OCEDLANDPHBQIG-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 | KeJAoDUGtKp |
|---|---|
| Name | 1-CYCLOHEXENE-1-ACETIC ACID, 3-OXO-, METHYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C9H12O3 |
| InChI | InChI=1S/C9H12O3/c1-12-9(11)6-7-3-2-4-8(10)5-7/h5H,2-4,6H2,1H3 |
| InChIKey | OCEDLANDPHBQIG-UHFFFAOYSA-N |
| Molecular Weight | 168.0783 |
| SMILES | C1(CC(OC)=O)=CC(=O)CCC1 |
| SPLASH | splash10-0901-9700000000-5c821f9079821616b2f9 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |