| SpectraBase Compound ID | 51YtAugvmE8 |
|---|---|
| InChI | InChI=1S/C12H15BrO2/c13-9-5-4-8-12(14)15-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2 |
| InChIKey | NFIVNRVBVQXAAY-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 | BwMTBoBkzYj |
|---|---|
| Name | 5-Bromopentanoic acid, benzyl 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/c13-9-5-4-8-12(14)15-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2 |
| InChIKey | NFIVNRVBVQXAAY-UHFFFAOYSA-N |
| SMILES | C1(=CC=CC=C1)COC(CCCCBr)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976783 |