| SpectraBase Compound ID | EasNxzg1UR7 |
|---|---|
| InChI | InChI=1S/C20H29NO3/c1-3-4-5-6-7-14-24-20(23)18-12-9-13-21(18)19(22)17-11-8-10-16(2)15-17/h8,10-11,15,18H,3-7,9,12-14H2,1-2H3 |
| InChIKey | ZVSHXKLWEKPMBW-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 | HNHhmu2i5j1 |
|---|---|
| Name | L-Proline, N-(3-methylbenzoyl)-, heptyl 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/c1-3-4-5-6-7-14-24-20(23)18-12-9-13-21(18)19(22)17-11-8-10-16(2)15-17/h8,10-11,15,18H,3-7,9,12-14H2,1-2H3 |
| InChIKey | ZVSHXKLWEKPMBW-UHFFFAOYSA-N |
| Molecular Weight | 331.456 g/mol |
| SMILES | C1=C(C=CC=C1C)C(N1CCCC1C(=O)OCCCCCCC)=O |