| SpectraBase Compound ID | KEfHfUBQ50U |
|---|---|
| InChI | InChI=1S/C13H18N2O/c1-2-13(16)15-10-8-14(9-11-15)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3 |
| InChIKey | OTFKRHOATUETFR-UHFFFAOYSA-N |
| Mol Weight | 218.3 g/mol |
| Molecular Formula | C13H18N2O |
| Exact Mass | 218.141913 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FiPSbJgMbzA |
|---|---|
| Name | 1-Phenylpiperazine prop |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.141913207 u |
| Formula | C13H18N2O |
| InChI | InChI=1S/C13H18N2O/c1-2-13(16)15-10-8-14(9-11-15)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3 |
| InChIKey | OTFKRHOATUETFR-UHFFFAOYSA-N |
| Molecular Weight | 218.300 g/mol |
| SMILES | C1(N2CCN(C(CC)=O)CC2)=CC=CC=C1 |