| SpectraBase Compound ID | 7dEROet3K2P |
|---|---|
| InChI | InChI=1S/C16H31NO3/c1-4-6-8-9-10-12-15(18)17-14(3)16(19)20-13-11-7-5-2/h14H,4-13H2,1-3H3,(H,17,18) |
| InChIKey | ROHKZEGVLMSXLB-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 | HWlYhw3Jyup |
|---|---|
| Name | L-Alanine, N-octanoyl-, pentyl 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/c1-4-6-8-9-10-12-15(18)17-14(3)16(19)20-13-11-7-5-2/h14H,4-13H2,1-3H3,(H,17,18) |
| InChIKey | ROHKZEGVLMSXLB-UHFFFAOYSA-N |
| SMILES | CCCCCCCC(NC(C(OCCCCC)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.969734 |