| SpectraBase Compound ID | AlsGnG3BKC2 |
|---|---|
| InChI | InChI=1S/C9H4BrCl5O3/c10-1-2-17-9(16)18-8-6(14)4(12)3(11)5(13)7(8)15/h1-2H2 |
| InChIKey | VJSCFCUJUPGXMG-UHFFFAOYSA-N |
| Mol Weight | 417.3 g/mol |
| Molecular Formula | C9H4BrCl5O3 |
| Exact Mass | 413.778645 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DBKBuEavjbX |
|---|---|
| Name | Carbonic acid, 2-bromoethyl pentachlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 413.778645486 u |
| Formula | C9H4BrCl5O3 |
| InChI | InChI=1S/C9H4BrCl5O3/c10-1-2-17-9(16)18-8-6(14)4(12)3(11)5(13)7(8)15/h1-2H2 |
| InChIKey | VJSCFCUJUPGXMG-UHFFFAOYSA-N |
| Molecular Weight | 417.297 g/mol |
| SMILES | C=1(Cl)C(Cl)=C(Cl)C(=C(C1OC(=O)OCCBr)Cl)Cl |