| SpectraBase Compound ID | BVSWLgy0FB4 |
|---|---|
| InChI | InChI=1S/C20H29NO3/c1-4-16-9-11-17(12-10-16)19(22)21-13-5-8-18(21)20(23)24-14-6-7-15(2)3/h9-12,15,18H,4-8,13-14H2,1-3H3 |
| InChIKey | WRZFRLFMJLVBLP-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 | 29xxJ5cJVbd |
|---|---|
| Name | L-Proline, N-(4-ethylbenzoyl)-, 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/c1-4-16-9-11-17(12-10-16)19(22)21-13-5-8-18(21)20(23)24-14-6-7-15(2)3/h9-12,15,18H,4-8,13-14H2,1-3H3 |
| InChIKey | WRZFRLFMJLVBLP-UHFFFAOYSA-N |
| Molecular Weight | 331.456 g/mol |
| SMILES | C1=C(C=CC(=C1)C(N1CCCC1C(=O)OCCCC(C)C)=O)CC |