| SpectraBase Compound ID | CRzgarDztDL |
|---|---|
| InChI | InChI=1S/C16H31NO3/c1-3-5-7-8-10-14-20-16(19)12-13-17-15(18)11-9-6-4-2/h3-14H2,1-2H3,(H,17,18) |
| InChIKey | FOYMNYMFGOZPJU-UHFFFAOYSA-N |
| Mol Weight | 285.43 g/mol |
| Molecular Formula | C16H31NO3 |
| Exact Mass | 285.230394 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9L0Xmg78s46 |
|---|---|
| Name | .beta.-Alanine, N-caproyl-, heptyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.230393859 u |
| Formula | C16H31NO3 |
| InChI | InChI=1S/C16H31NO3/c1-3-5-7-8-10-14-20-16(19)12-13-17-15(18)11-9-6-4-2/h3-14H2,1-2H3,(H,17,18) |
| InChIKey | FOYMNYMFGOZPJU-UHFFFAOYSA-N |
| SMILES | CCCCCC(NCCC(OCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.984837 |