| SpectraBase Compound ID | 1JODPRNbFLI |
|---|---|
| InChI | InChI=1S/C12H13ClO4/c1-2-16-11(14)9-4-3-5-10(8-9)12(15)17-7-6-13/h3-5,8H,2,6-7H2,1H3 |
| InChIKey | JOCXGHTXBALZLR-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 | 7cH3i4UapqT |
|---|---|
| Name | Isophthalic acid, 2-chloroethyl ethyl 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/c1-2-16-11(14)9-4-3-5-10(8-9)12(15)17-7-6-13/h3-5,8H,2,6-7H2,1H3 |
| InChIKey | JOCXGHTXBALZLR-UHFFFAOYSA-N |
| Molecular Weight | 256.685 g/mol |
| SMILES | C1(=CC(=CC=C1)C(OCCCl)=O)C(OCC)=O |