| SpectraBase Compound ID | 48A6t5HZoe2 |
|---|---|
| InChI | InChI=1S/C14H9ClO3/c15-13(16)10-5-4-6-11(9-10)14(17)18-12-7-2-1-3-8-12/h1-9H |
| InChIKey | RPVOSOKUGZNNQU-UHFFFAOYSA-N |
| Mol Weight | 260.68 g/mol |
| Molecular Formula | C14H9ClO3 |
| Exact Mass | 260.024022 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KTTAZbzExog |
|---|---|
| Name | Isophthalic acid, monochloride, phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.024021847 u |
| Formula | C14H9ClO3 |
| InChI | InChI=1S/C14H9ClO3/c15-13(16)10-5-4-6-11(9-10)14(17)18-12-7-2-1-3-8-12/h1-9H |
| InChIKey | RPVOSOKUGZNNQU-UHFFFAOYSA-N |
| Molecular Weight | 260.676 g/mol |
| SMILES | C1(=CC=CC=C1)OC(C1=CC(C(Cl)=O)=CC=C1)=O |