| SpectraBase Compound ID | 77RBG8kke12 |
|---|---|
| InChI | InChI=1S/C18H31BrO3/c1-22-18(21)17(16-19)14-12-10-8-6-4-2-3-5-7-9-11-13-15-20/h14-15H,2-13,16H2,1H3/b17-14+ |
| InChIKey | HNASUTMPPRRBQH-SAPNQHFASA-N |
| Mol Weight | 375.35 g/mol |
| Molecular Formula | C18H31BrO3 |
| Exact Mass | 374.145658 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 56Y2F3sA3T4 |
|---|---|
| Name | Methyl 2-bromomethyl-15-formyl-2(Z)-pentadecenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.145657855 u |
| Formula | C18H31BrO3 |
| InChI | InChI=1S/C18H31BrO3/c1-22-18(21)17(16-19)14-12-10-8-6-4-2-3-5-7-9-11-13-15-20/h14-15H,2-13,16H2,1H3/b17-14+ |
| InChIKey | HNASUTMPPRRBQH-SAPNQHFASA-N |
| Molecular Weight | 375.347 g/mol |
| SMILES | C(\C(=C\CCCCCCCCCCCCC=O)CBr)(=O)OC |