| SpectraBase Compound ID | 7vULHmi3YYM |
|---|---|
| InChI | InChI=1S/C18H35NO3/c1-3-5-7-9-11-13-17(20)19-15-14-18(21)22-16-12-10-8-6-4-2/h3-16H2,1-2H3,(H,19,20) |
| InChIKey | JVKNDDADIRYROV-UHFFFAOYSA-N |
| Mol Weight | 313.5 g/mol |
| Molecular Formula | C18H35NO3 |
| Exact Mass | 313.261694 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CnY2C1eptKm |
|---|---|
| Name | .beta.-Alanine, N-capryloyl-, heptyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.261693988 u |
| Formula | C18H35NO3 |
| InChI | InChI=1S/C18H35NO3/c1-3-5-7-9-11-13-17(20)19-15-14-18(21)22-16-12-10-8-6-4-2/h3-16H2,1-2H3,(H,19,20) |
| InChIKey | JVKNDDADIRYROV-UHFFFAOYSA-N |
| SMILES | CCCCCCCC(NCCC(OCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.98181 |