| SpectraBase Compound ID | 8wkvRXXquSl |
|---|---|
| InChI | InChI=1S/C17H33NO4/c1-9-12(2)13(14(19)21-10-16(3,4)5)18-15(20)22-11-17(6,7)8/h12-13H,9-11H2,1-8H3,(H,18,20) |
| InChIKey | ANJACRICGOGTGH-UHFFFAOYSA-N |
| Mol Weight | 315.5 g/mol |
| Molecular Formula | C17H33NO4 |
| Exact Mass | 315.240959 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 | 5TY2lhVPxsC |
|---|---|
| Name | L-Isoleucine, N-neopentyloxycarbonyl-, neopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.240958543 u |
| Formula | C17H33NO4 |
| InChI | InChI=1S/C17H33NO4/c1-9-12(2)13(14(19)21-10-16(3,4)5)18-15(20)22-11-17(6,7)8/h12-13H,9-11H2,1-8H3,(H,18,20) |
| InChIKey | ANJACRICGOGTGH-UHFFFAOYSA-N |
| Molecular Weight | 315.454 g/mol |
| SMILES | C(NC(OCC(C)(C)C)=O)(C(OCC(C)(C)C)=O)C(C)CC |