| SpectraBase Compound ID | HUfxDoZMoZ5 |
|---|---|
| InChI | InChI=1S/C12H13ClO4/c1-2-3-8-16-11(14)12(15)17-10-6-4-9(13)5-7-10/h4-7H,2-3,8H2,1H3 |
| InChIKey | QHVSEKIMPBVBJC-UHFFFAOYSA-N |
| Mol Weight | 256.68 g/mol |
| Molecular Formula | C12H13ClO4 |
| Exact Mass | 256.050237 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Q7aC6HhlYT |
|---|---|
| Name | Oxalic acid, butyl 4-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.050236595 u |
| Formula | C12H13ClO4 |
| InChI | InChI=1S/C12H13ClO4/c1-2-3-8-16-11(14)12(15)17-10-6-4-9(13)5-7-10/h4-7H,2-3,8H2,1H3 |
| InChIKey | QHVSEKIMPBVBJC-UHFFFAOYSA-N |
| Molecular Weight | 256.685 g/mol |
| SMILES | C(C(=O)OCCCC)(=O)OC1=CC=C(C=C1)Cl |