![Benzoic acid, 4-[[2-(1-piperazinyl)acetyl]amino]-, methyl ester](/api/spectrum/WsOPeA2Y1Z/structure.png?h=300&w=458 "Benzoic acid, 4-[[2-(1-piperazinyl)acetyl]amino]-, methyl ester")
| SpectraBase Compound ID | 7yAYQuNTuRD |
|---|---|
| InChI | InChI=1S/C14H19N3O3/c1-20-14(19)11-2-4-12(5-3-11)16-13(18)10-17-8-6-15-7-9-17/h2-5,15H,6-10H2,1H3,(H,16,18) |
| InChIKey | GNKBRGHNZZUWND-UHFFFAOYSA-N |
| Mol Weight | 277.32 g/mol |
| Molecular Formula | C14H19N3O3 |
| Exact Mass | 277.142641 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | WsOPeA2Y1Z |
|---|---|
| Name | Benzoic acid, 4-[[2-(1-piperazinyl)acetyl]amino]-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.142641481 u |
| Formula | C14H19N3O3 |
| InChI | InChI=1S/C14H19N3O3/c1-20-14(19)11-2-4-12(5-3-11)16-13(18)10-17-8-6-15-7-9-17/h2-5,15H,6-10H2,1H3,(H,16,18) |
| InChIKey | GNKBRGHNZZUWND-UHFFFAOYSA-N |
| Molecular Weight | 277.324 g/mol |
| SMILES | C(NC1=CC=C(C(=O)OC)C=C1)(CN1CCNCC1)=O |