| SpectraBase Compound ID | 8MDv1yrjTlb |
|---|---|
| InChI | InChI=1S/C11H13ClO2/c1-8(2)7-14-11(13)9-4-3-5-10(12)6-9/h3-6,8H,7H2,1-2H3 |
| InChIKey | DLJDIYXFPGOEBR-UHFFFAOYSA-N |
| Mol Weight | 212.68 g/mol |
| Molecular Formula | C11H13ClO2 |
| Exact Mass | 212.060407 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3npgvqdydIc |
|---|---|
| Name | Isobutyl 3-chlorobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.060407357 u |
| Formula | C11H13ClO2 |
| InChI | InChI=1S/C11H13ClO2/c1-8(2)7-14-11(13)9-4-3-5-10(12)6-9/h3-6,8H,7H2,1-2H3 |
| InChIKey | DLJDIYXFPGOEBR-UHFFFAOYSA-N |
| Molecular Weight | 212.676 g/mol |
| SMILES | CC(C)COC(=O)C1=CC(=CC=C1)Cl |