| SpectraBase Compound ID | BeZFQ34kAbO |
|---|---|
| InChI | InChI=1S/C8H2BrCl5O2/c9-1-2(15)16-8-6(13)4(11)3(10)5(12)7(8)14/h1H2 |
| InChIKey | KLKJDOXPPVLZCE-UHFFFAOYSA-N |
| Mol Weight | 387.3 g/mol |
| Molecular Formula | C8H2BrCl5O2 |
| Exact Mass | 383.768081 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FHcSTDjOO1t |
|---|---|
| Name | Bromoacetic acid, pentachlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 383.768080802 u |
| Formula | C8H2BrCl5O2 |
| InChI | InChI=1S/C8H2BrCl5O2/c9-1-2(15)16-8-6(13)4(11)3(10)5(12)7(8)14/h1H2 |
| InChIKey | KLKJDOXPPVLZCE-UHFFFAOYSA-N |
| Molecular Weight | 387.271 g/mol |
| SMILES | C(Br)C(=O)OC1=C(C(Cl)=C(C(=C1Cl)Cl)Cl)Cl |