| SpectraBase Compound ID | K4o9FmyHpih |
|---|---|
| InChI | InChI=1S/C10H13BrO2/c11-9-5-3-8(4-6-9)10(13)2-1-7-12/h3-6,10,12-13H,1-2,7H2 |
| InChIKey | KRHUFJDZSPFZIP-UHFFFAOYSA-N |
| Mol Weight | 245.12 g/mol |
| Molecular Formula | C10H13BrO2 |
| Exact Mass | 244.009893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DPo6RJGrDaw |
|---|---|
| Name | rac-1-(4-Bromophenyl)-1,4-butandiol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.009892657 u |
| Formula | C10H13BrO2 |
| InChI | InChI=1S/C10H13BrO2/c11-9-5-3-8(4-6-9)10(13)2-1-7-12/h3-6,10,12-13H,1-2,7H2 |
| InChIKey | KRHUFJDZSPFZIP-UHFFFAOYSA-N |
| Molecular Weight | 245.116 g/mol |
| SMILES | C1=C(C=CC(C(CCCO)O)=C1)Br |