| SpectraBase Compound ID | 2LEeKZ7gMYi |
|---|---|
| InChI | InChI=1S/C19H35BrO4/c1-4-11-17(16(2)3)24-19(22)13-12-18(21)23-15-10-8-6-5-7-9-14-20/h16-17H,4-15H2,1-3H3 |
| InChIKey | WKMOBKFKDJEOOG-UHFFFAOYSA-N |
| Mol Weight | 407.4 g/mol |
| Molecular Formula | C19H35BrO4 |
| Exact Mass | 406.171873 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jr7xMWYvUt7 |
|---|---|
| Name | Succinic acid, 8-bromooctyl 2-methylhex-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 406.171872603 u |
| Formula | C19H35BrO4 |
| InChI | InChI=1S/C19H35BrO4/c1-4-11-17(16(2)3)24-19(22)13-12-18(21)23-15-10-8-6-5-7-9-14-20/h16-17H,4-15H2,1-3H3 |
| InChIKey | WKMOBKFKDJEOOG-UHFFFAOYSA-N |
| Molecular Weight | 407.389 g/mol |
| SMILES | C(CCC(OCCCCCCCCBr)=O)(OC(CCC)C(C)C)=O |