| SpectraBase Compound ID | 91BAykP8TIR |
|---|---|
| InChI | InChI=1S/C16H21BrO2/c1-3-5-7-8-13-19-15-11-9-10-14(16(15)17)18-12-6-4-2/h3-4,9-11H,1-2,5-8,12-13H2 |
| InChIKey | SDOAORNLTXMISY-UHFFFAOYSA-N |
| Mol Weight | 325.25 g/mol |
| Molecular Formula | C16H21BrO2 |
| Exact Mass | 324.072493 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4PD7vv6QbSk |
|---|---|
| Name | 2-Bromanyl-1-but-3-enoxy-3-hex-5-enoxy-benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.072492914 u |
| Formula | C16H21BrO2 |
| InChI | InChI=1S/C16H21BrO2/c1-3-5-7-8-13-19-15-11-9-10-14(16(15)17)18-12-6-4-2/h3-4,9-11H,1-2,5-8,12-13H2 |
| InChIKey | SDOAORNLTXMISY-UHFFFAOYSA-N |
| Molecular Weight | 325.246 g/mol |
| SMILES | C=1(C(=C(C=CC1)OCCCCC=C)Br)OCCC=C |