| SpectraBase Compound ID | 8zkbaxv1VSr |
|---|---|
| InChI | InChI=1S/C14H27NO4/c1-5-8-10-19-14(17)15-12(11(4)7-3)13(16)18-9-6-2/h11-12H,5-10H2,1-4H3,(H,15,17) |
| InChIKey | JEXLAOLKFLZNGU-UHFFFAOYSA-N |
| Mol Weight | 273.37 g/mol |
| Molecular Formula | C14H27NO4 |
| Exact Mass | 273.194008 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | IxS0PNVop3O |
|---|---|
| Name | L-Isoleucine, N-butoxycarbonyl-, propyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.194008349 u |
| Formula | C14H27NO4 |
| InChI | InChI=1S/C14H27NO4/c1-5-8-10-19-14(17)15-12(11(4)7-3)13(16)18-9-6-2/h11-12H,5-10H2,1-4H3,(H,15,17) |
| InChIKey | JEXLAOLKFLZNGU-UHFFFAOYSA-N |
| SMILES | CCCCOC(NC(C(CC)C)C(OCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.843788 |