| SpectraBase Compound ID | 5QcTgrPFdtb |
|---|---|
| InChI | InChI=1S/C11H12Cl2/c12-9-6-8-4-2-1-3-5-10(8)11(13)7-9/h6-7H,1-5H2 |
| InChIKey | ORKNBOUFUILWRF-UHFFFAOYSA-N |
| Mol Weight | 215.12 g/mol |
| Molecular Formula | C11H12Cl2 |
| Exact Mass | 214.031606 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8UZOISVGAii |
|---|---|
| Name | 5H-Benzocycloheptene, 1,3-dichloro-6,7,8,9-tetrahydro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.031605786 u |
| Formula | C11H12Cl2 |
| InChI | InChI=1S/C11H12Cl2/c12-9-6-8-4-2-1-3-5-10(8)11(13)7-9/h6-7H,1-5H2 |
| InChIKey | ORKNBOUFUILWRF-UHFFFAOYSA-N |
| Molecular Weight | 215.123 g/mol |
| SMILES | C1(=C2C(CCCCC2)=CC(=C1)Cl)Cl |