| SpectraBase Compound ID | BSPRqxAMf9Q |
|---|---|
| InChI | InChI=1S/C12H25NO/c1-4-7-10-13(11-8-5-2)12(14)9-6-3/h4-11H2,1-3H3 |
| InChIKey | YIGDAUZSYXKBHT-UHFFFAOYSA-N |
| Mol Weight | 199.34 g/mol |
| Molecular Formula | C12H25NO |
| Exact Mass | 199.193614 g/mol |
| SpectraBase Spectrum ID | 5uItd0TW1uF |
|---|---|
| Name | di-N-Butylbutyramid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.193614428 u |
| Formula | C12H25NO |
| InChI | InChI=1S/C12H25NO/c1-4-7-10-13(11-8-5-2)12(14)9-6-3/h4-11H2,1-3H3 |
| InChIKey | YIGDAUZSYXKBHT-UHFFFAOYSA-N |
| Molecular Weight | 199.338 g/mol |
| SMILES | C(=O)(CCC)N(CCCC)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.881733 |