![Benzoic acid, 4-[[(1,1-dimethyl-2-propenyl)oxy]methyl]-, methyl ester](/api/spectrum/HOBhTGAxwo0/structure.png?h=300&w=458 "Benzoic acid, 4-[[(1,1-dimethyl-2-propenyl)oxy]methyl]-, methyl ester")
| SpectraBase Compound ID | FZfOco1GhXb |
|---|---|
| InChI | InChI=1S/C14H18O3/c1-5-14(2,3)17-10-11-6-8-12(9-7-11)13(15)16-4/h5-9H,1,10H2,2-4H3 |
| InChIKey | KTWSKKVRBDFETI-UHFFFAOYSA-N |
| Mol Weight | 234.29 g/mol |
| Molecular Formula | C14H18O3 |
| Exact Mass | 234.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HOBhTGAxwo0 |
|---|---|
| Name | Benzoic acid, 4-[[(1,1-dimethyl-2-propenyl)oxy]methyl]-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.125594437 u |
| Formula | C14H18O3 |
| InChI | InChI=1S/C14H18O3/c1-5-14(2,3)17-10-11-6-8-12(9-7-11)13(15)16-4/h5-9H,1,10H2,2-4H3 |
| InChIKey | KTWSKKVRBDFETI-UHFFFAOYSA-N |
| Molecular Weight | 234.295 g/mol |
| SMILES | C(C=1C=CC(=CC1)COC(C=C)(C)C)(=O)OC |