| SpectraBase Compound ID | 3iiJLYZPc55 |
|---|---|
| InChI | InChI=1S/C11H12O2/c1-9(2)8-11(12)13-10-6-4-3-5-7-10/h3-8H,1-2H3 |
| InChIKey | FFACJJSUQMXDRE-UHFFFAOYSA-N |
| Mol Weight | 176.21 g/mol |
| Molecular Formula | C11H12O2 |
| Exact Mass | 176.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EHk0trH0Osf |
|---|---|
| Name | 3-Methyl-2-butenoic acid, phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.083729624 u |
| Formula | C11H12O2 |
| InChI | InChI=1S/C11H12O2/c1-9(2)8-11(12)13-10-6-4-3-5-7-10/h3-8H,1-2H3 |
| InChIKey | FFACJJSUQMXDRE-UHFFFAOYSA-N |
| Molecular Weight | 176.215 g/mol |
| SMILES | C1(=CC=CC=C1)OC(=O)C=C(C)C |