| SpectraBase Compound ID | IyJJwQxWtoz |
|---|---|
| InChI | InChI=1S/C9H14O2/c1-7-5-3-4-6-8(7)9(10)11-2/h3-6H2,1-2H3 |
| InChIKey | UMYFAWYCKUPXRV-UHFFFAOYSA-N |
| Mol Weight | 154.21 g/mol |
| Molecular Formula | C9H14O2 |
| Exact Mass | 154.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KM61YBwU3Xo |
|---|---|
| Name | 2-Methyl-1-cyclohexenecarboxylic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.099379689 u |
| Formula | C9H14O2 |
| InChI | InChI=1S/C9H14O2/c1-7-5-3-4-6-8(7)9(10)11-2/h3-6H2,1-2H3 |
| InChIKey | UMYFAWYCKUPXRV-UHFFFAOYSA-N |
| Molecular Weight | 154.209 g/mol |
| SMILES | C1(C(=O)OC)=C(C)CCCC1 |