| SpectraBase Compound ID | 2CHaXgBw1ZY |
|---|---|
| InChI | InChI=1S/C18H32BrClO4/c19-13-7-3-1-5-9-15-23-17(21)11-12-18(22)24-16-10-6-2-4-8-14-20/h1-16H2 |
| InChIKey | FFZKFXKSCIBBAE-UHFFFAOYSA-N |
| Mol Weight | 427.8 g/mol |
| Molecular Formula | C18H32BrClO4 |
| Exact Mass | 426.11725 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2JNq3MgOICv |
|---|---|
| Name | Succinic acid, 7-bromoheptyl 7-chloroheptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 426.117250206 u |
| Formula | C18H32BrClO4 |
| InChI | InChI=1S/C18H32BrClO4/c19-13-7-3-1-5-9-15-23-17(21)11-12-18(22)24-16-10-6-2-4-8-14-20/h1-16H2 |
| InChIKey | FFZKFXKSCIBBAE-UHFFFAOYSA-N |
| Molecular Weight | 427.807 g/mol |
| SMILES | C(OC(=O)CCC(OCCCCCCCCl)=O)CCCCCCBr |