| SpectraBase Compound ID | IjZGZVR4eIO |
|---|---|
| InChI | InChI=1S/C16H23NO4/c1-12(2)6-4-11-21-16(19)13-7-3-9-17(13)15(18)14-8-5-10-20-14/h5,8,10,12-13H,3-4,6-7,9,11H2,1-2H3 |
| InChIKey | YZKAUZAHHVYMMM-UHFFFAOYSA-N |
| Mol Weight | 293.36 g/mol |
| Molecular Formula | C16H23NO4 |
| Exact Mass | 293.162708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DAlOTnHzyrM |
|---|---|
| Name | L-Proline, N-(furoyl-2)-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.162708221 u |
| Formula | C16H23NO4 |
| InChI | InChI=1S/C16H23NO4/c1-12(2)6-4-11-21-16(19)13-7-3-9-17(13)15(18)14-8-5-10-20-14/h5,8,10,12-13H,3-4,6-7,9,11H2,1-2H3 |
| InChIKey | YZKAUZAHHVYMMM-UHFFFAOYSA-N |
| SMILES | CC(C)CCCOC(C1N(C(C=2OC=CC2)=O)CCC1)=O |