| SpectraBase Compound ID | KSJ0ZKDSk8s |
|---|---|
| InChI | InChI=1S/C12H15BrO2/c13-10-6-2-5-9-12(14)15-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2 |
| InChIKey | FKUOTKYSEHLYIN-UHFFFAOYSA-N |
| Mol Weight | 271.15 g/mol |
| Molecular Formula | C12H15BrO2 |
| Exact Mass | 270.025543 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8dpPQUx2SWJ |
|---|---|
| Name | 6-Bromohexanoic acid, phenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.025542721 u |
| Formula | C12H15BrO2 |
| InChI | InChI=1S/C12H15BrO2/c13-10-6-2-5-9-12(14)15-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2 |
| InChIKey | FKUOTKYSEHLYIN-UHFFFAOYSA-N |
| SMILES | C(Br)CCCCC(=O)OC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.878571 |