![1-Bromo-4-[4-methoxyphenyl]-n-butane](/api/spectrum/HJVNaxm32P/structure.png?h=300&w=458 "1-Bromo-4-[4-methoxyphenyl]-n-butane")
| SpectraBase Compound ID | By4bZO4JNY7 |
|---|---|
| InChI | InChI=1S/C11H15BrO/c1-13-11-7-5-10(6-8-11)4-2-3-9-12/h5-8H,2-4,9H2,1H3 |
| InChIKey | ORLVTTVUPUULCW-UHFFFAOYSA-N |
| Mol Weight | 243.14 g/mol |
| Molecular Formula | C11H15BrO |
| Exact Mass | 242.030628 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 | HJVNaxm32P |
|---|---|
| Name | 1-Bromo-4-[4-methoxyphenyl]-N-butane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.030628102 u |
| Formula | C11H15BrO |
| InChI | InChI=1S/C11H15BrO/c1-13-11-7-5-10(6-8-11)4-2-3-9-12/h5-8H,2-4,9H2,1H3 |
| InChIKey | ORLVTTVUPUULCW-UHFFFAOYSA-N |
| Molecular Weight | 243.144 g/mol |
| SMILES | C1=C(C=CC(=C1)CCCCBr)OC |