| SpectraBase Compound ID | 9piXBx9ImuO |
|---|---|
| InChI | InChI=1S/C14H27NO4/c1-6-8-10-19-13(17)15-11(14(3,4)5)12(16)18-9-7-2/h11H,6-10H2,1-5H3,(H,15,17) |
| InChIKey | LLRQMEUHQNPUDI-UHFFFAOYSA-N |
| Mol Weight | 273.37 g/mol |
| Molecular Formula | C14H27NO4 |
| Exact Mass | 273.194008 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IlHe95qZWpk |
|---|---|
| Name | Tert-leucine, 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/c1-6-8-10-19-13(17)15-11(14(3,4)5)12(16)18-9-7-2/h11H,6-10H2,1-5H3,(H,15,17) |
| InChIKey | LLRQMEUHQNPUDI-UHFFFAOYSA-N |
| SMILES | CCCOC(C(NC(OCCCC)=O)C(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.820532 |