| SpectraBase Compound ID | B3O2p6Nzhrb |
|---|---|
| InChI | InChI=1S/C19H25NO2/c1-14-11-12-15(2)20(14)17(18(21)22-19(3,4)5)13-16-9-7-6-8-10-16/h6-12,17H,13H2,1-5H3/t17-/m0/s1 |
| InChIKey | VMTOGEYMGSYXHW-KRWDZBQOSA-N |
| Mol Weight | 299.41 g/mol |
| Molecular Formula | C19H25NO2 |
| Exact Mass | 299.188529 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ATCICaY9RA |
|---|---|
| Name | Tert-butyl ester of (S)-2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-phenylpropionic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.188529047 u |
| Formula | C19H25NO2 |
| InChI | InChI=1S/C19H25NO2/c1-14-11-12-15(2)20(14)17(18(21)22-19(3,4)5)13-16-9-7-6-8-10-16/h6-12,17H,13H2,1-5H3/t17-/m0/s1 |
| InChIKey | VMTOGEYMGSYXHW-KRWDZBQOSA-N |
| SMILES | [C@](N1C(=CC=C1C)C)(C(OC(C)(C)C)=O)(CC1=CC=CC=C1)[H] |