| SpectraBase Compound ID | BfnoQjcBe0O |
|---|---|
| InChI | InChI=1S/C12H16N2O2/c1-16-11-4-2-3-10(9-11)12(15)14-7-5-13-6-8-14/h2-4,9,13H,5-8H2,1H3 |
| InChIKey | IPZDOXRVWBCKCE-UHFFFAOYSA-N |
| Mol Weight | 220.27 g/mol |
| Molecular Formula | C12H16N2O2 |
| Exact Mass | 220.121178 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1HA5vNLo6Cs |
|---|---|
| Name | (3-Methoxyphenyl)(piperazin-1-yl)methanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.121177761 u |
| Formula | C12H16N2O2 |
| InChI | InChI=1S/C12H16N2O2/c1-16-11-4-2-3-10(9-11)12(15)14-7-5-13-6-8-14/h2-4,9,13H,5-8H2,1H3 |
| InChIKey | IPZDOXRVWBCKCE-UHFFFAOYSA-N |
| Molecular Weight | 220.272 g/mol |
| SMILES | C(N1CCNCC1)(C1=CC(=CC=C1)OC)=O |