![3-[1-beczzoyl-3(R)-vinyl-4(R)-piperidinyl]-propionic acid](/api/spectrum/50R5D3w3hTF/structure.png?h=300&w=458 "3-[1-beczzoyl-3(R)-vinyl-4(R)-piperidinyl]-propionic acid")
| SpectraBase Compound ID | 4HOdceJl1l |
|---|---|
| InChI | InChI=1S/C17H21NO3/c1-2-13-12-18(11-10-14(13)8-9-16(19)20)17(21)15-6-4-3-5-7-15/h2-7,13-14H,1,8-12H2,(H,19,20)/t13-,14+/m0/s1 |
| InChIKey | XJJZBODPXHPNPF-UONOGXRCSA-N |
| Mol Weight | 287.36 g/mol |
| Molecular Formula | C17H21NO3 |
| Exact Mass | 287.152144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 50R5D3w3hTF |
|---|---|
| Name | 3-[1-Beczzoyl-3(R)-vinyl-4(R)-piperidinyl]-propionic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.152143537 u |
| Formula | C17H21NO3 |
| InChI | InChI=1S/C17H21NO3/c1-2-13-12-18(11-10-14(13)8-9-16(19)20)17(21)15-6-4-3-5-7-15/h2-7,13-14H,1,8-12H2,(H,19,20)/t13-,14+/m0/s1 |
| InChIKey | XJJZBODPXHPNPF-UONOGXRCSA-N |
| SMILES | C1CN(C[C@@]([C@@]1(CCC(O)=O)[H])(C=C)[H])C(=O)C1=CC=CC=C1 |