| SpectraBase Compound ID | LrBeB0RJhEU |
|---|---|
| InChI | InChI=1S/C7H13Cl3/c1-5(8)3-7(10)4-6(2)9/h5-7H,3-4H2,1-2H3 |
| InChIKey | ZIELQSWVHXTKFD-UHFFFAOYSA-N |
| Mol Weight | 203.54 g/mol |
| Molecular Formula | C7H13Cl3 |
| Exact Mass | 202.008284 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ngSKYheXz4 |
|---|---|
| Name | 2,4,6-Trichloroheptane(syndiotactic isomer) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.008283519 u |
| Formula | C7H13Cl3 |
| InChI | InChI=1S/C7H13Cl3/c1-5(8)3-7(10)4-6(2)9/h5-7H,3-4H2,1-2H3 |
| InChIKey | ZIELQSWVHXTKFD-UHFFFAOYSA-N |
| Molecular Weight | 203.540 g/mol |
| SMILES | CC(CC(CC(Cl)C)Cl)Cl |