| SpectraBase Compound ID | EraCRUBMgIS |
|---|---|
| InChI | InChI=1S/C13H17ClO3/c1-10(7-8-16-2)9-17-13(15)11-5-3-4-6-12(11)14/h3-6,10H,7-9H2,1-2H3 |
| InChIKey | AOYQHRUPNZPJHW-UHFFFAOYSA-N |
| Mol Weight | 256.73 g/mol |
| Molecular Formula | C13H17ClO3 |
| Exact Mass | 256.086622 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BHqPqveWIJ4 |
|---|---|
| Name | 2-Chlorobenzoic acid, 4-methoxy-2-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.086622104 u |
| Formula | C13H17ClO3 |
| InChI | InChI=1S/C13H17ClO3/c1-10(7-8-16-2)9-17-13(15)11-5-3-4-6-12(11)14/h3-6,10H,7-9H2,1-2H3 |
| InChIKey | AOYQHRUPNZPJHW-UHFFFAOYSA-N |
| Molecular Weight | 256.729 g/mol |
| SMILES | COCCC(COC(C1=C(C=CC=C1)Cl)=O)C |