SpectraBase Compound ID | 94dFoKlZ5qi |
---|---|
InChI | InChI=1S/C11H23NO/c1-4-5-6-7-8-9-12-11(13)10(2)3/h10H,4-9H2,1-3H3,(H,12,13) |
InChIKey | DDISCKVQXLSOGD-UHFFFAOYSA-N |
Mol Weight | 185.31 g/mol |
Molecular Formula | C11H23NO |
Exact Mass | 185.177964 g/mol |
SpectraBase Spectrum ID | CyNiWhlwT8j |
---|---|
Name | Isobutyramide, N-heptyl- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 185.177964364 u |
Formula | C11H23NO |
InChI | InChI=1S/C11H23NO/c1-4-5-6-7-8-9-12-11(13)10(2)3/h10H,4-9H2,1-3H3,(H,12,13) |
InChIKey | DDISCKVQXLSOGD-UHFFFAOYSA-N |
Molecular Weight | 185.311 g/mol |
SMILES | C(C(=O)NCCCCCCC)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.977878 |