| SpectraBase Compound ID | 1Xn3uFchqpR |
|---|---|
| InChI | InChI=1S/C19H27NO4/c1-14(2)7-6-12-24-19(22)17-10-5-11-20(17)18(21)15-8-4-9-16(13-15)23-3/h4,8-9,13-14,17H,5-7,10-12H2,1-3H3 |
| InChIKey | HFSKGBIZKKGQAT-UHFFFAOYSA-N |
| Mol Weight | 333.43 g/mol |
| Molecular Formula | C19H27NO4 |
| Exact Mass | 333.194008 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HQIl7wiAVZq |
|---|---|
| Name | L-Proline, N-(3-methoxybenzoyl)-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.194008349 u |
| Formula | C19H27NO4 |
| InChI | InChI=1S/C19H27NO4/c1-14(2)7-6-12-24-19(22)17-10-5-11-20(17)18(21)15-8-4-9-16(13-15)23-3/h4,8-9,13-14,17H,5-7,10-12H2,1-3H3 |
| InChIKey | HFSKGBIZKKGQAT-UHFFFAOYSA-N |
| Molecular Weight | 333.428 g/mol |
| SMILES | C1(=CC=CC(=C1)C(N1CCCC1C(=O)OCCCC(C)C)=O)OC |