| SpectraBase Compound ID | GGNy2oI7r8M |
|---|---|
| InChI | InChI=1S/C19H37NO4/c1-7-9-10-11-12-13-23-17(21)16(15(3)8-2)20-18(22)24-14-19(4,5)6/h15-16H,7-14H2,1-6H3,(H,20,22) |
| InChIKey | QXYZGXXRIZAFLM-UHFFFAOYSA-N |
| Mol Weight | 343.5 g/mol |
| Molecular Formula | C19H37NO4 |
| Exact Mass | 343.272259 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LGdndQJzk1o |
|---|---|
| Name | L-Isoleucine, N-neopentyloxycarbonyl-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 343.272258671 u |
| Formula | C19H37NO4 |
| InChI | InChI=1S/C19H37NO4/c1-7-9-10-11-12-13-23-17(21)16(15(3)8-2)20-18(22)24-14-19(4,5)6/h15-16H,7-14H2,1-6H3,(H,20,22) |
| InChIKey | QXYZGXXRIZAFLM-UHFFFAOYSA-N |
| Molecular Weight | 343.508 g/mol |
| SMILES | CCCCCCCOC(C(NC(OCC(C)(C)C)=O)C(C)CC)=O |