| SpectraBase Compound ID | 2rhn16gNB8H |
|---|---|
| InChI | InChI=1S/C9H17NO2/c1-2-3-7-12-9(11)8-5-4-6-10-8/h8,10H,2-7H2,1H3 |
| InChIKey | YTXNDJXECACZEL-UHFFFAOYSA-N |
| Mol Weight | 171.24 g/mol |
| Molecular Formula | C9H17NO2 |
| Exact Mass | 171.125929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GVQ7LCL58Pt |
|---|---|
| Name | L-Proline, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 171.125928789 u |
| Formula | C9H17NO2 |
| InChI | InChI=1S/C9H17NO2/c1-2-3-7-12-9(11)8-5-4-6-10-8/h8,10H,2-7H2,1H3 |
| InChIKey | YTXNDJXECACZEL-UHFFFAOYSA-N |
| Molecular Weight | 171.240 g/mol |
| SMILES | C(OCCCC)(=O)C1CCCN1 |