SpectraBase Compound ID | D2s2dmnB3MO |
---|---|
InChI | InChI=1S/C14H29NO/c1-4-6-7-8-9-10-12-15-14(16)13(3)11-5-2/h13H,4-12H2,1-3H3,(H,15,16) |
InChIKey | OQJHPDHEKZBIQI-UHFFFAOYSA-N |
Mol Weight | 227.39 g/mol |
Molecular Formula | C14H29NO |
Exact Mass | 227.224915 g/mol |
SpectraBase Spectrum ID | 6ciy5ky9PiM |
---|---|
Name | Valeramide, 2-methyl-N-octyl- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 227.224914557 u |
Formula | C14H29NO |
InChI | InChI=1S/C14H29NO/c1-4-6-7-8-9-10-12-15-14(16)13(3)11-5-2/h13H,4-12H2,1-3H3,(H,15,16) |
InChIKey | OQJHPDHEKZBIQI-UHFFFAOYSA-N |
Molecular Weight | 227.392 g/mol |
SMILES | C(=O)(NCCCCCCCC)C(CCC)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948685 |