| SpectraBase Compound ID | BjCNdRh1pP1 |
|---|---|
| InChI | InChI=1S/C9H17BrO3/c1-12-7-8-13-9(11)5-3-2-4-6-10/h2-8H2,1H3 |
| InChIKey | REMSKYLUFNVGKB-UHFFFAOYSA-N |
| Mol Weight | 253.14 g/mol |
| Molecular Formula | C9H17BrO3 |
| Exact Mass | 252.036107 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5VzPxnp0z9g |
|---|---|
| Name | 6-Bromohexanoic acid, 2-methoxyethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.036107404 u |
| Formula | C9H17BrO3 |
| InChI | InChI=1S/C9H17BrO3/c1-12-7-8-13-9(11)5-3-2-4-6-10/h2-8H2,1H3 |
| InChIKey | REMSKYLUFNVGKB-UHFFFAOYSA-N |
| Molecular Weight | 253.136 g/mol |
| SMILES | C(CCCCCBr)(=O)OCCOC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976087 |