| SpectraBase Compound ID | LdG9OIa7VRY |
|---|---|
| InChI | InChI=1S/C13H23BrO2/c1-12(6-4-9-14)7-5-11-16-13-8-2-3-10-15-13/h6,13H,2-5,7-11H2,1H3/b12-6+ |
| InChIKey | SQROOAYXEVFMTI-WUXMJOGZSA-N |
| Mol Weight | 291.23 g/mol |
| Molecular Formula | C13H23BrO2 |
| Exact Mass | 290.088143 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7PTPeYf6ayM |
|---|---|
| Name | (3E)-4-Methyl-7-tetrahydropyranoxy-1-bromo-3-heptene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.088142979 u |
| Formula | C13H23BrO2 |
| InChI | InChI=1S/C13H23BrO2/c1-12(6-4-9-14)7-5-11-16-13-8-2-3-10-15-13/h6,13H,2-5,7-11H2,1H3/b12-6+ |
| InChIKey | SQROOAYXEVFMTI-WUXMJOGZSA-N |
| SMILES | C1(OCCCC1)OCCC\C(=C\CCBr)C |