| SpectraBase Compound ID | KzwNSwZDmgf |
|---|---|
| InChI | InChI=1S/C20H37BrO4/c1-4-12-18(17(2)3)25-20(23)14-11-13-19(22)24-16-10-8-6-5-7-9-15-21/h17-18H,4-16H2,1-3H3 |
| InChIKey | JKABGAHLUMCFLL-UHFFFAOYSA-N |
| Mol Weight | 421.4 g/mol |
| Molecular Formula | C20H37BrO4 |
| Exact Mass | 420.187523 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L6cQjr2LJ8L |
|---|---|
| Name | Glutaric 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 | 420.187522667 u |
| Formula | C20H37BrO4 |
| InChI | InChI=1S/C20H37BrO4/c1-4-12-18(17(2)3)25-20(23)14-11-13-19(22)24-16-10-8-6-5-7-9-15-21/h17-18H,4-16H2,1-3H3 |
| InChIKey | JKABGAHLUMCFLL-UHFFFAOYSA-N |
| Molecular Weight | 421.416 g/mol |
| SMILES | C(OCCCCCCCCBr)(=O)CCCC(OC(CCC)C(C)C)=O |