| SpectraBase Compound ID | 8b8AkGp4yv4 |
|---|---|
| InChI | InChI=1S/C14H27NO4/c1-3-5-12-19-14(17)15-10-8-6-7-9-13(16)18-11-4-2/h3-12H2,1-2H3,(H,15,17) |
| InChIKey | WPDYCQSEHBXXAR-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 | 6r1sntsgGZ6 |
|---|---|
| Name | 6-Aminocaproic acid, N-butoxycarbonyl-, propyl 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/c1-3-5-12-19-14(17)15-10-8-6-7-9-13(16)18-11-4-2/h3-12H2,1-2H3,(H,15,17) |
| InChIKey | WPDYCQSEHBXXAR-UHFFFAOYSA-N |
| SMILES | CCCCOC(NCCCCCC(OCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.943587 |