| SpectraBase Compound ID | 9IALF87F4Sn |
|---|---|
| InChI | InChI=1S/C18H31NO3/c1-14(2)8-7-13-22-18(21)16-11-6-12-19(16)17(20)15-9-4-3-5-10-15/h14-16H,3-13H2,1-2H3 |
| InChIKey | HNKRMTIURNRWSB-UHFFFAOYSA-N |
| Mol Weight | 309.45 g/mol |
| Molecular Formula | C18H31NO3 |
| Exact Mass | 309.230394 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2BZytVn6TUS |
|---|---|
| Name | L-Proline, N-(cyclohexanecarbonyl)-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.230393859 u |
| Formula | C18H31NO3 |
| InChI | InChI=1S/C18H31NO3/c1-14(2)8-7-13-22-18(21)16-11-6-12-19(16)17(20)15-9-4-3-5-10-15/h14-16H,3-13H2,1-2H3 |
| InChIKey | HNKRMTIURNRWSB-UHFFFAOYSA-N |
| Molecular Weight | 309.450 g/mol |
| SMILES | C1(CCCCC1)C(N1CCCC1C(=O)OCCCC(C)C)=O |