| SpectraBase Compound ID | KCPNdv70rA6 |
|---|---|
| InChI | InChI=1S/C20H29NO3/c1-16(2)8-7-15-24-20(23)18-11-6-14-21(18)19(22)13-12-17-9-4-3-5-10-17/h3-5,9-10,16,18H,6-8,11-15H2,1-2H3 |
| InChIKey | JPJMDJPKTAACJZ-UHFFFAOYSA-N |
| Mol Weight | 331.46 g/mol |
| Molecular Formula | C20H29NO3 |
| Exact Mass | 331.214744 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7W9Jn24hvEW |
|---|---|
| Name | L-Proline, N-(3-phenylpropionyl)-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.214743795 u |
| Formula | C20H29NO3 |
| InChI | InChI=1S/C20H29NO3/c1-16(2)8-7-15-24-20(23)18-11-6-14-21(18)19(22)13-12-17-9-4-3-5-10-17/h3-5,9-10,16,18H,6-8,11-15H2,1-2H3 |
| InChIKey | JPJMDJPKTAACJZ-UHFFFAOYSA-N |
| Molecular Weight | 331.456 g/mol |
| SMILES | C1=C(C=CC=C1)CCC(N1CCCC1C(=O)OCCCC(C)C)=O |