| SpectraBase Compound ID | 7J4hPsqJYOT |
|---|---|
| InChI | InChI=1S/C16H13ClO4/c1-2-20-15(18)11-5-3-6-12(9-11)16(19)21-14-8-4-7-13(17)10-14/h3-10H,2H2,1H3 |
| InChIKey | FLARZRNEIVBXLS-UHFFFAOYSA-N |
| Mol Weight | 304.73 g/mol |
| Molecular Formula | C16H13ClO4 |
| Exact Mass | 304.050237 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CYv3AIBMpqK |
|---|---|
| Name | Isophthalic acid, 3-chlorophenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.050236595 u |
| Formula | C16H13ClO4 |
| InChI | InChI=1S/C16H13ClO4/c1-2-20-15(18)11-5-3-6-12(9-11)16(19)21-14-8-4-7-13(17)10-14/h3-10H,2H2,1H3 |
| InChIKey | FLARZRNEIVBXLS-UHFFFAOYSA-N |
| Molecular Weight | 304.729 g/mol |
| SMILES | C1=C(C=C(C=C1)Cl)OC(C1=CC(C(OCC)=O)=CC=C1)=O |