| SpectraBase Compound ID | LR6ZiExvYfs |
|---|---|
| InChI | InChI=1S/C9H17NO4/c1-6(2)5-14-8(11)7(3)10-9(12)13-4/h6-7H,5H2,1-4H3,(H,10,12) |
| InChIKey | CXVQHCUJJVJWQH-UHFFFAOYSA-N |
| Mol Weight | 203.24 g/mol |
| Molecular Formula | C9H17NO4 |
| Exact Mass | 203.115758 g/mol |
Vapor Phase (Gas) Infrared Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HT6aEoWqhBi |
|---|---|
| Name | L-Alanine, N-methoxycarbonyl-, isobutyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.115758027 u |
| Formula | C9H17NO4 |
| InChI | InChI=1S/C9H17NO4/c1-6(2)5-14-8(11)7(3)10-9(12)13-4/h6-7H,5H2,1-4H3,(H,10,12) |
| InChIKey | CXVQHCUJJVJWQH-UHFFFAOYSA-N |
| Molecular Weight | 203.238 g/mol |
| SMILES | COC(=O)NC(C)C(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.9346 |