| SpectraBase Compound ID | KuxAAiAgo87 |
|---|---|
| InChI | InChI=1S/C12H18N2O/c1-15-12-4-2-3-11(9-12)10-14-7-5-13-6-8-14/h2-4,9,13H,5-8,10H2,1H3 |
| InChIKey | BYWNAISVQHRFEE-UHFFFAOYSA-N |
| Mol Weight | 206.29 g/mol |
| Molecular Formula | C12H18N2O |
| Exact Mass | 206.141913 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DJCAXFsmxVQ |
|---|---|
| Name | 1-(3-Methoxybenzyl)piperazine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.141913207 u |
| Formula | C12H18N2O |
| InChI | InChI=1S/C12H18N2O/c1-15-12-4-2-3-11(9-12)10-14-7-5-13-6-8-14/h2-4,9,13H,5-8,10H2,1H3 |
| InChIKey | BYWNAISVQHRFEE-UHFFFAOYSA-N |
| Molecular Weight | 206.289 g/mol |
| SMILES | C(N1CCNCC1)C1=CC(=CC=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936554 |