| SpectraBase Compound ID | GRNC9n4btfR |
|---|---|
| InChI | InChI=1S/C9H17NO4/c1-4-5-6-14-8(11)7(2)10-9(12)13-3/h7H,4-6H2,1-3H3,(H,10,12) |
| InChIKey | WUFQXWWVJAWFML-UHFFFAOYSA-N |
| Mol Weight | 203.24 g/mol |
| Molecular Formula | C9H17NO4 |
| Exact Mass | 203.115758 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ar2RzB7es8B |
|---|---|
| Name | L-Alanine, N-methoxycarbonyl-, butyl 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/c1-4-5-6-14-8(11)7(2)10-9(12)13-3/h7H,4-6H2,1-3H3,(H,10,12) |
| InChIKey | WUFQXWWVJAWFML-UHFFFAOYSA-N |
| Molecular Weight | 203.238 g/mol |
| SMILES | COC(=O)NC(C)C(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.897321 |