SpectraBase Compound ID | 7AAiMHz6KWN |
---|---|
InChI | InChI=1S/C13H25NO2/c1-2-3-4-5-6-9-13(15)14-11-12-8-7-10-16-12/h12H,2-11H2,1H3,(H,14,15) |
InChIKey | XGUHXZQZNDSZKK-UHFFFAOYSA-N |
Mol Weight | 227.35 g/mol |
Molecular Formula | C13H25NO2 |
Exact Mass | 227.188529 g/mol |
SpectraBase Spectrum ID | HDshzF3umdp |
---|---|
Name | Octanamide, N-tetrahydrofurfuryl- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 227.188529047 u |
Formula | C13H25NO2 |
InChI | InChI=1S/C13H25NO2/c1-2-3-4-5-6-9-13(15)14-11-12-8-7-10-16-12/h12H,2-11H2,1H3,(H,14,15) |
InChIKey | XGUHXZQZNDSZKK-UHFFFAOYSA-N |
Molecular Weight | 227.348 g/mol |
SMILES | CCCCCCCC(=O)NCC1CCCO1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.979427 |