| SpectraBase Compound ID | 9AA9whOSOaT |
|---|---|
| InChI | InChI=1S/C17H14Cl2O3/c18-13-3-5-15(20)11(8-13)7-12-9-14(19)4-6-16(12)22-17(21)10-1-2-10/h3-6,8-10,20H,1-2,7H2 |
| InChIKey | GODVCNFGPHZUFN-UHFFFAOYSA-N |
| Mol Weight | 337.2 g/mol |
| Molecular Formula | C17H14Cl2O3 |
| Exact Mass | 336.032 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HIxHd66rYw3 |
|---|---|
| Name | Dichlorophen, o-(cyclopropanecarbonyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.031999708 u |
| Formula | C17H14Cl2O3 |
| InChI | InChI=1S/C17H14Cl2O3/c18-13-3-5-15(20)11(8-13)7-12-9-14(19)4-6-16(12)22-17(21)10-1-2-10/h3-6,8-10,20H,1-2,7H2 |
| InChIKey | GODVCNFGPHZUFN-UHFFFAOYSA-N |
| Molecular Weight | 337.202 g/mol |
| SMILES | C1(=CC=C(C(=C1)CC1=C(C=CC(=C1)Cl)O)OC(C1CC1)=O)Cl |