| SpectraBase Compound ID | LpNSe2rJKX5 |
|---|---|
| InChI | InChI=1S/C15H19NO3/c1-3-19-15(18)13-8-5-9-16(13)14(17)12-7-4-6-11(2)10-12/h4,6-7,10,13H,3,5,8-9H2,1-2H3 |
| InChIKey | XKAKRDMVBGASPC-UHFFFAOYSA-N |
| Mol Weight | 261.32 g/mol |
| Molecular Formula | C15H19NO3 |
| Exact Mass | 261.136493 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FIWFfJByjyJ |
|---|---|
| Name | L-Proline, N-(3-methylbenzoyl)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.136493473 u |
| Formula | C15H19NO3 |
| InChI | InChI=1S/C15H19NO3/c1-3-19-15(18)13-8-5-9-16(13)14(17)12-7-4-6-11(2)10-12/h4,6-7,10,13H,3,5,8-9H2,1-2H3 |
| InChIKey | XKAKRDMVBGASPC-UHFFFAOYSA-N |
| Molecular Weight | 261.321 g/mol |
| SMILES | C(N1CCCC1C(=O)OCC)(=O)C1=CC(C)=CC=C1 |