| SpectraBase Compound ID | sN150OPmvD |
|---|---|
| InChI | InChI=1S/C14H17NO3/c1-10-5-3-6-11(9-10)13(16)15-8-4-7-12(15)14(17)18-2/h3,5-6,9,12H,4,7-8H2,1-2H3 |
| InChIKey | QZCQSCWQKLPTLU-UHFFFAOYSA-N |
| Mol Weight | 247.29 g/mol |
| Molecular Formula | C14H17NO3 |
| Exact Mass | 247.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A5ccwLSeqSu |
|---|---|
| Name | L-Proline, N-(m-toluoyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.120843408 u |
| Formula | C14H17NO3 |
| InChI | InChI=1S/C14H17NO3/c1-10-5-3-6-11(9-10)13(16)15-8-4-7-12(15)14(17)18-2/h3,5-6,9,12H,4,7-8H2,1-2H3 |
| InChIKey | QZCQSCWQKLPTLU-UHFFFAOYSA-N |
| Molecular Weight | 247.294 g/mol |
| SMILES | C1CCC(N1C(C1=CC(C)=CC=C1)=O)C(OC)=O |