| SpectraBase Compound ID | AC9wlcrc5g0 |
|---|---|
| InChI | InChI=1S/C13H17NO3S/c1-2-8-17-13(16)10-5-3-7-14(10)12(15)11-6-4-9-18-11/h4,6,9-10H,2-3,5,7-8H2,1H3 |
| InChIKey | JWKMRNHBWLNPNC-UHFFFAOYSA-N |
| Mol Weight | 267.34 g/mol |
| Molecular Formula | C13H17NO3S |
| Exact Mass | 267.092915 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | xWOvDU7HoJ |
|---|---|
| Name | L-Proline, N-(thiophen-2-carbonyl)-, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.092914582 u |
| Formula | C13H17NO3S |
| InChI | InChI=1S/C13H17NO3S/c1-2-8-17-13(16)10-5-3-7-14(10)12(15)11-6-4-9-18-11/h4,6,9-10H,2-3,5,7-8H2,1H3 |
| InChIKey | JWKMRNHBWLNPNC-UHFFFAOYSA-N |
| Molecular Weight | 267.343 g/mol |
| SMILES | C1(=CC=CS1)C(N1CCCC1C(OCCC)=O)=O |