| SpectraBase Compound ID | 3A8GN7mZxUc |
|---|---|
| InChI | InChI=1S/C8H8Cl6O4/c1-4(18-6(16)8(12,13)14)2-3-17-5(15)7(9,10)11/h4H,2-3H2,1H3 |
| InChIKey | PMPHFFHDLZXQMJ-UHFFFAOYSA-N |
| Mol Weight | 380.9 g/mol |
| Molecular Formula | C8H8Cl6O4 |
| Exact Mass | 377.855375 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F0siRu7DnbL |
|---|---|
| Name | 1,3-Butanediol, bis(trichloroacetate) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 377.855374934 u |
| Formula | C8H8Cl6O4 |
| InChI | InChI=1S/C8H8Cl6O4/c1-4(18-6(16)8(12,13)14)2-3-17-5(15)7(9,10)11/h4H,2-3H2,1H3 |
| InChIKey | PMPHFFHDLZXQMJ-UHFFFAOYSA-N |
| Molecular Weight | 380.866 g/mol |
| SMILES | C(Cl)(C(OCCC(OC(C(Cl)(Cl)Cl)=O)C)=O)(Cl)Cl |