| SpectraBase Compound ID | LMNCNWg2RvE |
|---|---|
| InChI | InChI=1S/C12H16N2O2/c15-12(16)10-13-6-8-14(9-7-13)11-4-2-1-3-5-11/h1-5H,6-10H2,(H,15,16) |
| InChIKey | HEGFSAAWYPTAQH-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 | 7pYUysuajF7 |
|---|---|
| Name | (4-Phenyl-piperazin-1-yl)-acetic acid |
| 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/c15-12(16)10-13-6-8-14(9-7-13)11-4-2-1-3-5-11/h1-5H,6-10H2,(H,15,16) |
| InChIKey | HEGFSAAWYPTAQH-UHFFFAOYSA-N |
| Molecular Weight | 220.272 g/mol |
| SMILES | C1N(CCN(C1)CC(=O)O)C1=CC=CC=C1 |