| SpectraBase Compound ID | 3YA1i0FfVBF |
|---|---|
| InChI | InChI=1S/C16H11BrClFO4/c17-13-9-11(19)4-5-14(13)23-16(21)7-6-15(20)22-12-3-1-2-10(18)8-12/h1-5,8-9H,6-7H2 |
| InChIKey | LCZZWYZYMALDLA-UHFFFAOYSA-N |
| Mol Weight | 401.62 g/mol |
| Molecular Formula | C16H11BrClFO4 |
| Exact Mass | 399.951328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HV2TrudrXpU |
|---|---|
| Name | Succinic acid, 3-chlorophenyl 2-bromo-4-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 399.951327693 u |
| Formula | C16H11BrClFO4 |
| InChI | InChI=1S/C16H11BrClFO4/c17-13-9-11(19)4-5-14(13)23-16(21)7-6-15(20)22-12-3-1-2-10(18)8-12/h1-5,8-9H,6-7H2 |
| InChIKey | LCZZWYZYMALDLA-UHFFFAOYSA-N |
| Molecular Weight | 401.615 g/mol |
| SMILES | C(CC(OC1=CC(=CC=C1)Cl)=O)C(OC=1C=CC(=CC1Br)F)=O |