| SpectraBase Compound ID | Dr2T67E9gxX |
|---|---|
| InChI | InChI=1S/C7H12BrNO/c1-2-10-7-4-3-6(5-8)9-7/h6H,2-5H2,1H3 |
| InChIKey | IXJCHEIEIFZPLG-UHFFFAOYSA-N |
| Mol Weight | 206.08 g/mol |
| Molecular Formula | C7H12BrNO |
| Exact Mass | 205.010227 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FY0O5U8MTxx |
|---|---|
| Name | 5-Bromomethyl-2-ethoxy-delta(1)-pyrroline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 205.010227009 u |
| Formula | C7H12BrNO |
| InChI | InChI=1S/C7H12BrNO/c1-2-10-7-4-3-6(5-8)9-7/h6H,2-5H2,1H3 |
| InChIKey | IXJCHEIEIFZPLG-UHFFFAOYSA-N |
| Molecular Weight | 206.083 g/mol |
| SMILES | C1(=NC(CC1)CBr)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.842699 |