| SpectraBase Compound ID | RXr1yCOSbB |
|---|---|
| InChI | InChI=1S/C14H25BrO2/c1-3-4-5-7-10-13(2)17-14(16)11-8-6-9-12-15/h7,10,13H,3-6,8-9,11-12H2,1-2H3/b10-7+ |
| InChIKey | OAYIJFZMPRIJHZ-JXMROGBWSA-N |
| Mol Weight | 305.26 g/mol |
| Molecular Formula | C14H25BrO2 |
| Exact Mass | 304.103793 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1ooJvb6VIbS |
|---|---|
| Name | 6-Bromohexanoic acid, oct-3-en-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.103793043 u |
| Formula | C14H25BrO2 |
| InChI | InChI=1S/C14H25BrO2/c1-3-4-5-7-10-13(2)17-14(16)11-8-6-9-12-15/h7,10,13H,3-6,8-9,11-12H2,1-2H3/b10-7+ |
| InChIKey | OAYIJFZMPRIJHZ-JXMROGBWSA-N |
| Molecular Weight | 305.256 g/mol |
| SMILES | C(CCCCC(OC(\C=C\CCCC)C)=O)Br |