| SpectraBase Compound ID | 5XfasdgJxrY |
|---|---|
| InChI | InChI=1S/C12H16ClNO3/c1-8(15)14-5-4-9-6-12(17-3)10(13)7-11(9)16-2/h6-7H,4-5H2,1-3H3,(H,14,15) |
| InChIKey | DQPUXXXTXAVDBO-UHFFFAOYSA-N |
| Mol Weight | 257.72 g/mol |
| Molecular Formula | C12H16ClNO3 |
| Exact Mass | 257.081871 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LhdgK4pthjg |
|---|---|
| Name | 4-Chloro-2,5-dimethoxyphenethylamine ac |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.081871076 u |
| Formula | C12H16ClNO3 |
| InChI | InChI=1S/C12H16ClNO3/c1-8(15)14-5-4-9-6-12(17-3)10(13)7-11(9)16-2/h6-7H,4-5H2,1-3H3,(H,14,15) |
| InChIKey | DQPUXXXTXAVDBO-UHFFFAOYSA-N |
| SMILES | C=1(C(=CC(=C(C1)OC)Cl)OC)CCNC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959331 |