| SpectraBase Compound ID | 7fdqDnH1TGH |
|---|---|
| InChI | InChI=1S/C18H25NO3/c1-3-4-5-12-22-18(21)16-10-7-11-19(16)17(20)15-9-6-8-14(2)13-15/h6,8-9,13,16H,3-5,7,10-12H2,1-2H3 |
| InChIKey | SGMATPPCTBIGBH-UHFFFAOYSA-N |
| Mol Weight | 303.4 g/mol |
| Molecular Formula | C18H25NO3 |
| Exact Mass | 303.183444 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JEj7M03n7iB |
|---|---|
| Name | L-Proline, N-(3-methylbenzoyl)-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.183443666 u |
| Formula | C18H25NO3 |
| InChI | InChI=1S/C18H25NO3/c1-3-4-5-12-22-18(21)16-10-7-11-19(16)17(20)15-9-6-8-14(2)13-15/h6,8-9,13,16H,3-5,7,10-12H2,1-2H3 |
| InChIKey | SGMATPPCTBIGBH-UHFFFAOYSA-N |
| Molecular Weight | 303.402 g/mol |
| SMILES | C1=C(C=CC=C1C)C(N1CCCC1C(=O)OCCCCC)=O |