| SpectraBase Compound ID | 2Tuzqo3HgN8 |
|---|---|
| InChI | InChI=1S/C13H25BrO2/c1-2-3-4-5-6-7-8-12-16-13(15)10-9-11-14/h2-12H2,1H3 |
| InChIKey | AXUFBDBANCXRPF-UHFFFAOYSA-N |
| Mol Weight | 293.25 g/mol |
| Molecular Formula | C13H25BrO2 |
| Exact Mass | 292.103793 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DOEmsv3qTUx |
|---|---|
| Name | 4-Bromobutanoic acid, nonyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.103793043 u |
| Formula | C13H25BrO2 |
| InChI | InChI=1S/C13H25BrO2/c1-2-3-4-5-6-7-8-12-16-13(15)10-9-11-14/h2-12H2,1H3 |
| InChIKey | AXUFBDBANCXRPF-UHFFFAOYSA-N |
| SMILES | C(CCCCCCCC)OC(=O)CCCBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.872413 |