| SpectraBase Compound ID | LZI7NEiqKUX |
|---|---|
| InChI | InChI=1S/C12H23BrO2/c1-2-3-4-5-8-11-15-12(14)9-6-7-10-13/h2-11H2,1H3 |
| InChIKey | NGEGJBIKQPUVST-UHFFFAOYSA-N |
| Mol Weight | 279.22 g/mol |
| Molecular Formula | C12H23BrO2 |
| Exact Mass | 278.088143 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 | CzThDywFgx8 |
|---|---|
| Name | 5-Bromovaleric acid, heptyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.088142979 u |
| Formula | C12H23BrO2 |
| InChI | InChI=1S/C12H23BrO2/c1-2-3-4-5-8-11-15-12(14)9-6-7-10-13/h2-11H2,1H3 |
| InChIKey | NGEGJBIKQPUVST-UHFFFAOYSA-N |
| Molecular Weight | 279.218 g/mol |
| SMILES | C(=O)(OCCCCCCC)CCCCBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.822162 |