| SpectraBase Compound ID | 4rPi7dr5O3K |
|---|---|
| InChI | InChI=1S/C14H27NO4/c1-4-6-8-10-18-13(16)11-12(3)15-14(17)19-9-7-5-2/h12H,4-11H2,1-3H3,(H,15,17) |
| InChIKey | RSINSBRLSRGWNI-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 | 1TX97BniMSK |
|---|---|
| Name | 3-Aminobutyric acid, N-butoxycarbonyl-, 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/c1-4-6-8-10-18-13(16)11-12(3)15-14(17)19-9-7-5-2/h12H,4-11H2,1-3H3,(H,15,17) |
| InChIKey | RSINSBRLSRGWNI-UHFFFAOYSA-N |
| SMILES | CCCCOC(NC(CC(OCCCCC)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.969821 |