| SpectraBase Compound ID | CxTkZAK6OHC |
|---|---|
| InChI | InChI=1S/C18H35NO4/c1-5-8-9-10-11-12-13-14-23-17(20)16(15(4)6-2)19-18(21)22-7-3/h15-16H,5-14H2,1-4H3,(H,19,21) |
| InChIKey | HYPHXMRJTHSVRO-UHFFFAOYSA-N |
| Mol Weight | 329.5 g/mol |
| Molecular Formula | C18H35NO4 |
| Exact Mass | 329.256609 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Ca34euJ9V3 |
|---|---|
| Name | L-Isoleucine, N-ethoxycarbonyl-, nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.256608607 u |
| Formula | C18H35NO4 |
| InChI | InChI=1S/C18H35NO4/c1-5-8-9-10-11-12-13-14-23-17(20)16(15(4)6-2)19-18(21)22-7-3/h15-16H,5-14H2,1-4H3,(H,19,21) |
| InChIKey | HYPHXMRJTHSVRO-UHFFFAOYSA-N |
| Molecular Weight | 329.481 g/mol |
| SMILES | CCOC(NC(C(CC)C)C(OCCCCCCCCC)=O)=O |