| SpectraBase Compound ID | 1ca9r3RlXKn |
|---|---|
| InChI | InChI=1S/C14H27BrO2/c1-2-3-4-5-6-7-10-13-17-14(16)11-8-9-12-15/h2-13H2,1H3 |
| InChIKey | ZZYSKZVVWOPSDZ-UHFFFAOYSA-N |
| Mol Weight | 307.27 g/mol |
| Molecular Formula | C14H27BrO2 |
| Exact Mass | 306.119443 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4LVP2URMDej |
|---|---|
| Name | 5-Bromovaleric acid, nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.119443107 u |
| Formula | C14H27BrO2 |
| InChI | InChI=1S/C14H27BrO2/c1-2-3-4-5-6-7-10-13-17-14(16)11-8-9-12-15/h2-13H2,1H3 |
| InChIKey | ZZYSKZVVWOPSDZ-UHFFFAOYSA-N |
| Molecular Weight | 307.272 g/mol |
| SMILES | CCCCCCCCCOC(CCCCBr)=O |