| SpectraBase Compound ID | 3ihlPt9Y9v9 |
|---|---|
| InChI | InChI=1S/C8H15NO4/c1-5(2)6(7(10)12-3)9-8(11)13-4/h5-6H,1-4H3,(H,9,11) |
| InChIKey | QWGFBSMKDNXREL-UHFFFAOYSA-N |
| Mol Weight | 189.21 g/mol |
| Molecular Formula | C8H15NO4 |
| Exact Mass | 189.100108 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6ONcNJ6T3jy |
|---|---|
| Name | L-Valine, N-(methoxycarbonyl)-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.100107963 u |
| Formula | C8H15NO4 |
| InChI | InChI=1S/C8H15NO4/c1-5(2)6(7(10)12-3)9-8(11)13-4/h5-6H,1-4H3,(H,9,11) |
| InChIKey | QWGFBSMKDNXREL-UHFFFAOYSA-N |
| Molecular Weight | 189.211 g/mol |
| SMILES | COC(=O)C(C(C)C)NC(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947743 |