| SpectraBase Compound ID | 6llZcA13NQ8 |
|---|---|
| InChI | InChI=1S/C14H18O2/c1-11(2)9-10-16-14(15)12(3)13-7-5-4-6-8-13/h4-9,12H,10H2,1-3H3 |
| InChIKey | KLOHAVOEOBEPHC-UHFFFAOYSA-N |
| Mol Weight | 218.3 g/mol |
| Molecular Formula | C14H18O2 |
| Exact Mass | 218.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4sRlRTsDO52 |
|---|---|
| Name | Hydratropic acid, 3-methylbut-2-en-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.130679818 u |
| Formula | C14H18O2 |
| InChI | InChI=1S/C14H18O2/c1-11(2)9-10-16-14(15)12(3)13-7-5-4-6-8-13/h4-9,12H,10H2,1-3H3 |
| InChIKey | KLOHAVOEOBEPHC-UHFFFAOYSA-N |
| Molecular Weight | 218.296 g/mol |
| SMILES | C1=C(C=CC=C1)C(C(=O)OCC=C(C)C)C |