| SpectraBase Compound ID | 3xhj2PvS8cC |
|---|---|
| InChI | InChI=1S/C19H27NO3/c1-14(2)7-6-12-23-19(22)17-10-5-11-20(17)18(21)16-9-4-8-15(3)13-16/h4,8-9,13-14,17H,5-7,10-12H2,1-3H3 |
| InChIKey | CNQWUGSQDTZTNH-UHFFFAOYSA-N |
| Mol Weight | 317.43 g/mol |
| Molecular Formula | C19H27NO3 |
| Exact Mass | 317.199094 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E5GHX8Pxt0m |
|---|---|
| Name | L-Proline, N-(3-methylbenzoyl)-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.199093730 u |
| Formula | C19H27NO3 |
| InChI | InChI=1S/C19H27NO3/c1-14(2)7-6-12-23-19(22)17-10-5-11-20(17)18(21)16-9-4-8-15(3)13-16/h4,8-9,13-14,17H,5-7,10-12H2,1-3H3 |
| InChIKey | CNQWUGSQDTZTNH-UHFFFAOYSA-N |
| Molecular Weight | 317.429 g/mol |
| SMILES | C1(=CC=CC(=C1)C(N1CCCC1C(=O)OCCCC(C)C)=O)C |