| SpectraBase Compound ID | FHT4ps4jX5A |
|---|---|
| InChI | InChI=1S/C14H19BrO2/c15-11-5-4-10-14(16)17-12-6-9-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2 |
| InChIKey | HSVGSIDBYDGYRC-UHFFFAOYSA-N |
| Mol Weight | 299.21 g/mol |
| Molecular Formula | C14H19BrO2 |
| Exact Mass | 298.056843 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4FiA3sWJxPK |
|---|---|
| Name | 5-Bromopentanoic acid, 3-phenylpropyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.056842850 u |
| Formula | C14H19BrO2 |
| InChI | InChI=1S/C14H19BrO2/c15-11-5-4-10-14(16)17-12-6-9-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2 |
| InChIKey | HSVGSIDBYDGYRC-UHFFFAOYSA-N |
| SMILES | C1(=CC=CC=C1)CCCOC(CCCCBr)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942302 |