![2-propenoic acid, 3-[4-(2-methyl-1-propenyl)phenyl]-, (2E)-](/api/spectrum/IkYaH1n6mHl/structure.png?h=300&w=458 "2-propenoic acid, 3-[4-(2-methyl-1-propenyl)phenyl]-, (2E)-")
| SpectraBase Compound ID | FWKDoBXwpvk |
|---|---|
| InChI | InChI=1S/C13H14O2/c1-10(2)9-12-5-3-11(4-6-12)7-8-13(14)15/h3-9H,1-2H3,(H,14,15)/b8-7+ |
| InChIKey | YMVUXKOLMPWMTM-BQYQJAHWSA-N |
| Mol Weight | 202.25 g/mol |
| Molecular Formula | C13H14O2 |
| Exact Mass | 202.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IkYaH1n6mHl |
|---|---|
| Name | 2-Propenoic acid, 3-[4-(2-methyl-1-propenyl)phenyl]-, (2E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.099379689 u |
| Formula | C13H14O2 |
| InChI | InChI=1S/C13H14O2/c1-10(2)9-12-5-3-11(4-6-12)7-8-13(14)15/h3-9H,1-2H3,(H,14,15)/b8-7+ |
| InChIKey | YMVUXKOLMPWMTM-BQYQJAHWSA-N |
| Molecular Weight | 202.253 g/mol |
| SMILES | OC(\C=C\C1=CC=C(C=C(C)C)C=C1)=O |