| SpectraBase Compound ID | CIdNUCP6nI8 |
|---|---|
| InChI | InChI=1S/C13H9Cl3O2/c14-13(15,16)8-18-12(17)11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2 |
| InChIKey | SQDBIAIEUYOBDO-UHFFFAOYSA-N |
| Mol Weight | 303.57 g/mol |
| Molecular Formula | C13H9Cl3O2 |
| Exact Mass | 301.966813 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G1qakbvv3a3 |
|---|---|
| Name | 1-Naphthoic acid, 2,2,2-trichloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.966812628 u |
| Formula | C13H9Cl3O2 |
| InChI | InChI=1S/C13H9Cl3O2/c14-13(15,16)8-18-12(17)11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2 |
| InChIKey | SQDBIAIEUYOBDO-UHFFFAOYSA-N |
| Molecular Weight | 303.572 g/mol |
| SMILES | C12=CC=CC=C2C(=CC=C1)C(=O)OCC(Cl)(Cl)Cl |