| SpectraBase Compound ID | DqTmu2yzdgN |
|---|---|
| InChI | InChI=1S/C18H25NO3/c1-2-3-14-22-18(21)16-10-7-13-19(16)17(20)12-11-15-8-5-4-6-9-15/h4-6,8-9,16H,2-3,7,10-14H2,1H3 |
| InChIKey | CGNNAXYODMPEFS-UHFFFAOYSA-N |
| Mol Weight | 303.4 g/mol |
| Molecular Formula | C18H25NO3 |
| Exact Mass | 303.183444 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 85pzlu1RjiQ |
|---|---|
| Name | L-Proline, N-(3-phenylpropionyl)-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.183443666 u |
| Formula | C18H25NO3 |
| InChI | InChI=1S/C18H25NO3/c1-2-3-14-22-18(21)16-10-7-13-19(16)17(20)12-11-15-8-5-4-6-9-15/h4-6,8-9,16H,2-3,7,10-14H2,1H3 |
| InChIKey | CGNNAXYODMPEFS-UHFFFAOYSA-N |
| Molecular Weight | 303.402 g/mol |
| SMILES | C1=C(C=CC=C1)CCC(N1CCCC1C(=O)OCCCC)=O |