![[(E,1R)-5-bromo-1-methyl-pent-3-enoxy]methylbenzene](/api/spectrum/GU5ctdq3DSn/structure.png?h=300&w=458 "[(E,1R)-5-bromo-1-methyl-pent-3-enoxy]methylbenzene")
| SpectraBase Compound ID | GfcunSQa68B |
|---|---|
| InChI | InChI=1S/C13H17BrO/c1-12(7-5-6-10-14)15-11-13-8-3-2-4-9-13/h2-6,8-9,12H,7,10-11H2,1H3/b6-5+/t12-/m1/s1 |
| InChIKey | NKFMKGXFVJRDOW-BTDICHCPSA-N |
| Mol Weight | 269.18 g/mol |
| Molecular Formula | C13H17BrO |
| Exact Mass | 268.046278 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GU5ctdq3DSn |
|---|---|
| Name | [(E,1R)-5-Bromo-1-methyl-pent-3-enoxy]methylbenzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.046278166 u |
| Formula | C13H17BrO |
| InChI | InChI=1S/C13H17BrO/c1-12(7-5-6-10-14)15-11-13-8-3-2-4-9-13/h2-6,8-9,12H,7,10-11H2,1H3/b6-5+/t12-/m1/s1 |
| InChIKey | NKFMKGXFVJRDOW-BTDICHCPSA-N |
| Molecular Weight | 269.182 g/mol |
| SMILES | C(\C=C\CBr)[C@](OCC=1C=CC=CC1)(C)[H] |