| SpectraBase Compound ID | IOCxtdRnbc |
|---|---|
| InChI | InChI=1S/C17H15ClO4/c1-2-9-21-16(19)12-5-3-6-13(10-12)17(20)22-15-8-4-7-14(18)11-15/h3-8,10-11H,2,9H2,1H3 |
| InChIKey | RGLVTEZWGQELOW-UHFFFAOYSA-N |
| Mol Weight | 318.76 g/mol |
| Molecular Formula | C17H15ClO4 |
| Exact Mass | 318.065887 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4AlmN2zvgTJ |
|---|---|
| Name | Isophthalic acid, 3-chlorophenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.065886659 u |
| Formula | C17H15ClO4 |
| InChI | InChI=1S/C17H15ClO4/c1-2-9-21-16(19)12-5-3-6-13(10-12)17(20)22-15-8-4-7-14(18)11-15/h3-8,10-11H,2,9H2,1H3 |
| InChIKey | RGLVTEZWGQELOW-UHFFFAOYSA-N |
| Molecular Weight | 318.756 g/mol |
| SMILES | C1=C(C=C(C=C1)Cl)OC(C1=CC(=CC=C1)C(OCCC)=O)=O |