| SpectraBase Compound ID | 26B5TzX13pv |
|---|---|
| InChI | InChI=1S/C12H15ClO3/c1-9-8-10(13)5-6-11(9)16-7-3-4-12(14)15-2/h5-6,8H,3-4,7H2,1-2H3 |
| InChIKey | FWDQLSHRVKQKBS-UHFFFAOYSA-N |
| Mol Weight | 242.7 g/mol |
| Molecular Formula | C12H15ClO3 |
| Exact Mass | 242.070972 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6jc25WrNmNT |
|---|---|
| Name | Mcpb methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.070972040 u |
| Formula | C12H15ClO3 |
| InChI | InChI=1S/C12H15ClO3/c1-9-8-10(13)5-6-11(9)16-7-3-4-12(14)15-2/h5-6,8H,3-4,7H2,1-2H3 |
| InChIKey | FWDQLSHRVKQKBS-UHFFFAOYSA-N |
| Molecular Weight | 242.702 g/mol |
| SMILES | C1=C(C(=CC(=C1)Cl)C)OCCCC(=O)OC |