| SpectraBase Compound ID | 17aL674Qaif |
|---|---|
| InChI | InChI=1S/C17H10Cl2O2/c18-12-8-9-15(19)16(10-12)21-17(20)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H |
| InChIKey | BRDZGAAHKDXWHQ-UHFFFAOYSA-N |
| Mol Weight | 317.17 g/mol |
| Molecular Formula | C17H10Cl2O2 |
| Exact Mass | 316.005785 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4KHRMSUUsbC |
|---|---|
| Name | 1-Naphthoic acid, 2,5-dichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.005784960 u |
| Formula | C17H10Cl2O2 |
| InChI | InChI=1S/C17H10Cl2O2/c18-12-8-9-15(19)16(10-12)21-17(20)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H |
| InChIKey | BRDZGAAHKDXWHQ-UHFFFAOYSA-N |
| Molecular Weight | 317.171 g/mol |
| SMILES | C1=C(C2=CC=CC=C2C=C1)C(=O)OC1=C(C=CC(=C1)Cl)Cl |