| SpectraBase Compound ID | BG2kVonYL18 |
|---|---|
| InChI | InChI=1S/C12H16O2/c1-10(14-11(2)13)8-9-12-6-4-3-5-7-12/h6,10H,3-5,7H2,1-2H3 |
| InChIKey | HWUVWTVJCIZTMA-UHFFFAOYSA-N |
| Mol Weight | 192.26 g/mol |
| Molecular Formula | C12H16O2 |
| Exact Mass | 192.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ExMiqFTDevg |
|---|---|
| Name | Acetic acid, 3-cyclohex-1-enyl-1-methylprop-2-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.115029753 u |
| Formula | C12H16O2 |
| InChI | InChI=1S/C12H16O2/c1-10(14-11(2)13)8-9-12-6-4-3-5-7-12/h6,10H,3-5,7H2,1-2H3 |
| InChIKey | HWUVWTVJCIZTMA-UHFFFAOYSA-N |
| Molecular Weight | 192.258 g/mol |
| SMILES | C1C=C(C#CC(OC(C)=O)C)CCC1 |