| SpectraBase Compound ID | AeYxWnWtR2U |
|---|---|
| InChI | InChI=1S/C12H13ClO2/c1-9(2)7-12(14)15-8-10-3-5-11(13)6-4-10/h3-7H,8H2,1-2H3 |
| InChIKey | BSGAUJJGAKOAIP-UHFFFAOYSA-N |
| Mol Weight | 224.69 g/mol |
| Molecular Formula | C12H13ClO2 |
| Exact Mass | 224.060407 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HE5NfDRk7mG |
|---|---|
| Name | 3-Methyl-2-butenoic acid, 4-chlorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.060407357 u |
| Formula | C12H13ClO2 |
| InChI | InChI=1S/C12H13ClO2/c1-9(2)7-12(14)15-8-10-3-5-11(13)6-4-10/h3-7H,8H2,1-2H3 |
| InChIKey | BSGAUJJGAKOAIP-UHFFFAOYSA-N |
| Molecular Weight | 224.687 g/mol |
| SMILES | C1(Cl)=CC=C(C=C1)COC(=O)C=C(C)C |