| SpectraBase Compound ID | 4NORS6JcAbG |
|---|---|
| InChI | InChI=1S/C11H19BrO2/c1-10(2)7-9-14-11(13)6-4-3-5-8-12/h7H,3-6,8-9H2,1-2H3 |
| InChIKey | ABOMUFFETKXHAQ-UHFFFAOYSA-N |
| Mol Weight | 263.17 g/mol |
| Molecular Formula | C11H19BrO2 |
| Exact Mass | 262.056843 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KoqNREofNSW |
|---|---|
| Name | 6-Bromohexanoic acid, 3-methylbut-2-enyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.056842850 u |
| Formula | C11H19BrO2 |
| InChI | InChI=1S/C11H19BrO2/c1-10(2)7-9-14-11(13)6-4-3-5-8-12/h7H,3-6,8-9H2,1-2H3 |
| InChIKey | ABOMUFFETKXHAQ-UHFFFAOYSA-N |
| Molecular Weight | 263.175 g/mol |
| SMILES | C(CCCCC(OCC=C(C)C)=O)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972985 |