| SpectraBase Compound ID | H8ReJcrkZcZ |
|---|---|
| InChI | InChI=1S/C16H27BrO3/c1-20-16(19)15(14-17)12-10-8-6-4-2-3-5-7-9-11-13-18/h12-13H,2-11,14H2,1H3/b15-12+ |
| InChIKey | YIKUVMLNTRXZAT-NTCAYCPXSA-N |
| Mol Weight | 347.29 g/mol |
| Molecular Formula | C16H27BrO3 |
| Exact Mass | 346.114358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7DWRZqXEE3q |
|---|---|
| Name | Methyl 2-bromomethyl-13-formyl-2(Z)-tridecenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.114357726 u |
| Formula | C16H27BrO3 |
| InChI | InChI=1S/C16H27BrO3/c1-20-16(19)15(14-17)12-10-8-6-4-2-3-5-7-9-11-13-18/h12-13H,2-11,14H2,1H3/b15-12+ |
| InChIKey | YIKUVMLNTRXZAT-NTCAYCPXSA-N |
| Molecular Weight | 347.293 g/mol |
| SMILES | C(\C(=C\CCCCCCCCCCC=O)CBr)(=O)OC |