| SpectraBase Compound ID | L7IuEvYpm7v |
|---|---|
| InChI | InChI=1S/C14H27NO4/c1-5-6-7-10-18-12(16)8-9-15-13(17)19-11-14(2,3)4/h5-11H2,1-4H3,(H,15,17) |
| InChIKey | MUQBHSVFUPFGBC-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 | 52uYx1xeREe |
|---|---|
| Name | .beta.,-Alanine, N-neopentyloxycarbonyl-, pentyl 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/c1-5-6-7-10-18-12(16)8-9-15-13(17)19-11-14(2,3)4/h5-11H2,1-4H3,(H,15,17) |
| InChIKey | MUQBHSVFUPFGBC-UHFFFAOYSA-N |
| SMILES | CC(COC(NCCC(OCCCCC)=O)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947475 |