| SpectraBase Compound ID | 8sV8BMW8Ovi |
|---|---|
| InChI | InChI=1S/C20H39BrO2/c1-3-5-7-8-9-10-11-12-16-19(15-6-4-2)23-20(22)17-13-14-18-21/h19H,3-18H2,1-2H3 |
| InChIKey | PBIGTFMPDRIPBW-UHFFFAOYSA-N |
| Mol Weight | 391.4 g/mol |
| Molecular Formula | C20H39BrO2 |
| Exact Mass | 390.213343 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1rBLtBbygsi |
|---|---|
| Name | 5-Bromovaleric acid, 5-pentadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 390.213343494 u |
| Formula | C20H39BrO2 |
| InChI | InChI=1S/C20H39BrO2/c1-3-5-7-8-9-10-11-12-16-19(15-6-4-2)23-20(22)17-13-14-18-21/h19H,3-18H2,1-2H3 |
| InChIKey | PBIGTFMPDRIPBW-UHFFFAOYSA-N |
| Molecular Weight | 391.434 g/mol |
| SMILES | CCCCCCCCCCC(OC(CCCCBr)=O)CCCC |