![1-Bromo-4-[4-methoxyphenyl]-n-butane](/api/spectrum/64L7lbs4ahP/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 |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 64L7lbs4ahP |
|---|---|
| Name | 1-Bromo-4-[4-methoxyphenyl]-N-butane |
| Comments | Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940126 |