| SpectraBase Compound ID | JyVG5AaZ7nh |
|---|---|
| InChI | InChI=1S/C16H31NO3/c1-4-5-6-7-8-9-10-13-20-15(18)11-12-17-16(19)14(2)3/h14H,4-13H2,1-3H3,(H,17,19) |
| InChIKey | JYBFYXBTJSVOHR-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 | HYXStyP5rq0 |
|---|---|
| Name | .beta.-Alanine, N-isobutyryl-, nonyl 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/c1-4-5-6-7-8-9-10-13-20-15(18)11-12-17-16(19)14(2)3/h14H,4-13H2,1-3H3,(H,17,19) |
| InChIKey | JYBFYXBTJSVOHR-UHFFFAOYSA-N |
| SMILES | CC(C)C(NCCC(OCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.935088 |