| SpectraBase Compound ID | KXffSKyJqDh |
|---|---|
| InChI | InChI=1S/C11H10BrClO3/c12-8-4-6-9(7-5-8)16-11(15)3-1-2-10(13)14/h4-7H,1-3H2 |
| InChIKey | AOWDQVYPNSNHTI-UHFFFAOYSA-N |
| Mol Weight | 305.56 g/mol |
| Molecular Formula | C11H10BrClO3 |
| Exact Mass | 303.950185 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 90dlakkaX7M |
|---|---|
| Name | Glutaric acid, monochloride, 4-bromophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.950184879 u |
| Formula | C11H10BrClO3 |
| InChI | InChI=1S/C11H10BrClO3/c12-8-4-6-9(7-5-8)16-11(15)3-1-2-10(13)14/h4-7H,1-3H2 |
| InChIKey | AOWDQVYPNSNHTI-UHFFFAOYSA-N |
| Molecular Weight | 305.555 g/mol |
| SMILES | C1(=CC=C(OC(=O)CCCC(Cl)=O)C=C1)Br |