| SpectraBase Compound ID | 8TWkoFbqXpH |
|---|---|
| InChI | InChI=1S/C12H20ClNO3/c1-2-3-9-17-12(16)10-5-4-8-14(10)11(15)6-7-13/h10H,2-9H2,1H3 |
| InChIKey | PNFBOCROUZPUGK-UHFFFAOYSA-N |
| Mol Weight | 261.75 g/mol |
| Molecular Formula | C12H20ClNO3 |
| Exact Mass | 261.113171 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5BTr67oCoe |
|---|---|
| Name | L-Proline, N-(3-chloropropionyl)-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.113171205 u |
| Formula | C12H20ClNO3 |
| InChI | InChI=1S/C12H20ClNO3/c1-2-3-9-17-12(16)10-5-4-8-14(10)11(15)6-7-13/h10H,2-9H2,1H3 |
| InChIKey | PNFBOCROUZPUGK-UHFFFAOYSA-N |
| Molecular Weight | 261.749 g/mol |
| SMILES | C(C(N1CCCC1C(OCCCC)=O)=O)CCl |