| SpectraBase Compound ID | AIU9yFs9Lpp |
|---|---|
| InChI | InChI=1S/C14H27NO4/c1-10(2)8-7-9-19-13(16)12(11(3)4)15(5)14(17)18-6/h10-12H,7-9H2,1-6H3 |
| InChIKey | PCPHAEMTSSPKJQ-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 | B4PrzNH2bu6 |
|---|---|
| Name | Valine, N-methyl-N-methoxycarbonyl-, isohexyl 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/c1-10(2)8-7-9-19-13(16)12(11(3)4)15(5)14(17)18-6/h10-12H,7-9H2,1-6H3 |
| InChIKey | PCPHAEMTSSPKJQ-UHFFFAOYSA-N |
| SMILES | COC(N(C(C(OCCCC(C)C)=O)C(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.864177 |