| SpectraBase Compound ID | LhNcTCasKZG |
|---|---|
| InChI | InChI=1S/C13H25NO4/c1-12(2,3)17-10(15)8-7-9(14)11(16)18-13(4,5)6/h9H,7-8,14H2,1-6H3 |
| InChIKey | NTUGPDFKMVHCCJ-UHFFFAOYSA-N |
| Mol Weight | 259.35 g/mol |
| Molecular Formula | C13H25NO4 |
| Exact Mass | 259.178358 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4g0m40sqYKJ |
|---|---|
| Name | di-Tert-butyl glutamate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.178358285 u |
| Formula | C13H25NO4 |
| InChI | InChI=1S/C13H25NO4/c1-12(2,3)17-10(15)8-7-9(14)11(16)18-13(4,5)6/h9H,7-8,14H2,1-6H3 |
| InChIKey | NTUGPDFKMVHCCJ-UHFFFAOYSA-N |
| Molecular Weight | 259.346 g/mol |
| SMILES | CC(C)(C)OC(=O)CCC(C(=O)OC(C)(C)C)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.982636 |