| SpectraBase Compound ID | 3Is3ZxJId9y |
|---|---|
| InChI | InChI=1S/C12H20O3/c1-9-10(5-3-7-11(9)13)6-4-8-12(14)15-2/h9-10H,3-8H2,1-2H3 |
| InChIKey | XQVJQVBCKBUGIL-UHFFFAOYSA-N |
| Mol Weight | 212.29 g/mol |
| Molecular Formula | C12H20O3 |
| Exact Mass | 212.141245 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GGVmltbMSs3 |
|---|---|
| Name | 4-(2-METHYL-3-OXO-CYCLOHEXYL)BUTYRIC ACID, METHYL ESTER |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C12H20O3 |
| InChI | InChI=1S/C12H20O3/c1-9-10(5-3-7-11(9)13)6-4-8-12(14)15-2/h9-10H,3-8H2,1-2H3 |
| InChIKey | XQVJQVBCKBUGIL-UHFFFAOYSA-N |
| Molecular Weight | 212.1407 |
| SMILES | C1(=O)C(C)C(CCCC(OC)=O)CCC1 |
| SPLASH | splash10-08fu-9400000000-88b930e5f45ebebbc8c1 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |