| SpectraBase Compound ID | CP0FFIFxFzC |
|---|---|
| InChI | InChI=1S/C17H18Cl2O2/c1-2-3-4-5-10-21-17(20)16-14-8-7-13(18)11-12(14)6-9-15(16)19/h6-9,11H,2-5,10H2,1H3 |
| InChIKey | CWBDTFDMDCPBNO-UHFFFAOYSA-N |
| Mol Weight | 325.24 g/mol |
| Molecular Formula | C17H18Cl2O2 |
| Exact Mass | 324.068385 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G95oTPSMjd2 |
|---|---|
| Name | 1-Naphthalenecarboxylic acid, 2,6-dichloro-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.068385218 u |
| Formula | C17H18Cl2O2 |
| InChI | InChI=1S/C17H18Cl2O2/c1-2-3-4-5-10-21-17(20)16-14-8-7-13(18)11-12(14)6-9-15(16)19/h6-9,11H,2-5,10H2,1H3 |
| InChIKey | CWBDTFDMDCPBNO-UHFFFAOYSA-N |
| Molecular Weight | 325.235 g/mol |
| SMILES | C1=C(C=CC=2C(=C(C=CC12)Cl)C(OCCCCCC)=O)Cl |