| SpectraBase Compound ID | g9OGVEKJXR |
|---|---|
| InChI | InChI=1S/C10H19BrO2/c1-2-3-9-13-10(12)7-5-4-6-8-11/h2-9H2,1H3 |
| InChIKey | LGZWYJKDQKYRDU-UHFFFAOYSA-N |
| Mol Weight | 251.16 g/mol |
| Molecular Formula | C10H19BrO2 |
| Exact Mass | 250.056843 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5F9DpqvPAql |
|---|---|
| Name | 6-Bromohexanoic acid, butyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.056842850 u |
| Formula | C10H19BrO2 |
| InChI | InChI=1S/C10H19BrO2/c1-2-3-9-13-10(12)7-5-4-6-8-11/h2-9H2,1H3 |
| InChIKey | LGZWYJKDQKYRDU-UHFFFAOYSA-N |
| Molecular Weight | 251.164 g/mol |
| SMILES | C(CCBr)CCC(=O)OCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.884168 |