| SpectraBase Compound ID | 5EHXPFSxOTD |
|---|---|
| InChI | InChI=1S/C12H16N2O/c1-13-7-9-14(10-8-13)12(15)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3 |
| InChIKey | QRYWRVHZEBEZDQ-UHFFFAOYSA-N |
| Mol Weight | 204.27 g/mol |
| Molecular Formula | C12H16N2O |
| Exact Mass | 204.126263 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3WOIuqlNq7B |
|---|---|
| Name | (4-Methylpiperazin-1-yl)(phenyl)methanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.126263142 u |
| Formula | C12H16N2O |
| InChI | InChI=1S/C12H16N2O/c1-13-7-9-14(10-8-13)12(15)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3 |
| InChIKey | QRYWRVHZEBEZDQ-UHFFFAOYSA-N |
| Molecular Weight | 204.273 g/mol |
| SMILES | C(N1CCN(CC1)C)(C1=CC=CC=C1)=O |