| SpectraBase Compound ID | L7hF4DrwcDH |
|---|---|
| InChI | InChI=1S/C18H29NO4/c1-4-5-6-7-8-11-23-18(21)15(13-14(2)3)19-17(20)16-10-9-12-22-16/h9-10,12,14-15H,4-8,11,13H2,1-3H3,(H,19,20) |
| InChIKey | TYKKLNNFHFXVKU-UHFFFAOYSA-N |
| Mol Weight | 323.43 g/mol |
| Molecular Formula | C18H29NO4 |
| Exact Mass | 323.209658 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Baefg70vO0B |
|---|---|
| Name | L-Leucine, N-(2-furoyl)-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.209658414 u |
| Formula | C18H29NO4 |
| InChI | InChI=1S/C18H29NO4/c1-4-5-6-7-8-11-23-18(21)15(13-14(2)3)19-17(20)16-10-9-12-22-16/h9-10,12,14-15H,4-8,11,13H2,1-3H3,(H,19,20) |
| InChIKey | TYKKLNNFHFXVKU-UHFFFAOYSA-N |
| Molecular Weight | 323.433 g/mol |
| SMILES | CCCCCCCOC(C(NC(C=1OC=CC1)=O)CC(C)C)=O |