| SpectraBase Compound ID | JbUcaqPiOm6 |
|---|---|
| InChI | InChI=1S/C17H31NO4/c1-13(2)8-7-11-21-15(19)14-9-6-10-18(14)16(20)22-12-17(3,4)5/h13-14H,6-12H2,1-5H3 |
| InChIKey | FHRGDDUMHIJNAB-UHFFFAOYSA-N |
| Mol Weight | 313.44 g/mol |
| Molecular Formula | C17H31NO4 |
| Exact Mass | 313.225308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8g6V0A3qvI8 |
|---|---|
| Name | D-Proline, N-neopentyloxycarbonyl-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.225308478 u |
| Formula | C17H31NO4 |
| InChI | InChI=1S/C17H31NO4/c1-13(2)8-7-11-21-15(19)14-9-6-10-18(14)16(20)22-12-17(3,4)5/h13-14H,6-12H2,1-5H3 |
| InChIKey | FHRGDDUMHIJNAB-UHFFFAOYSA-N |
| Molecular Weight | 313.438 g/mol |
| SMILES | C1CN(C(=O)OCC(C)(C)C)C(C1)C(=O)OCCCC(C)C |