| SpectraBase Compound ID | 8bB2dIEtBlY |
|---|---|
| InChI | InChI=1S/C12H18BrNO2/c1-4-14-6-5-9-7-12(16-3)10(13)8-11(9)15-2/h7-8,14H,4-6H2,1-3H3 |
| InChIKey | FTXAZQUDSNEXMB-UHFFFAOYSA-N |
| Mol Weight | 288.19 g/mol |
| Molecular Formula | C12H18BrNO2 |
| Exact Mass | 287.052092 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8q0ptHTMNTe |
|---|---|
| Name | N-Ethyl-4-bromo-2,5-dimethoxyphenethylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.052091822 u |
| Formula | C12H18BrNO2 |
| InChI | InChI=1S/C12H18BrNO2/c1-4-14-6-5-9-7-12(16-3)10(13)8-11(9)15-2/h7-8,14H,4-6H2,1-3H3 |
| InChIKey | FTXAZQUDSNEXMB-UHFFFAOYSA-N |
| SMILES | C1(=C(C=C(C(=C1)Br)OC)CCNCC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.818817 |